Astrophysik (105)

Arcones, A., H.-T. Janka, et al. (2007). "Nucleosynthesis-relevant conditions in neutrino-driven supernova outflows I. Spherically symmetric hydrodynamic simulations." Astron. Astrophys. 467: 1227.

Arcones, A., L. Scheck, et al. (2006). Neutrino-driven wind and wind termination shock in supernova cores. Proc. of the International Symposium on Nuclear Astrophysics - Nuclei in the Cosmos IX, CERN, Geneva, PoS p.231.1.

Arcones, S. A. (2007). On Nucleosynthesis-Relevant Conditions in Neutrino-Driven Supernova Outflows. München, Technische Universität. Doktorarbeit.

Ascasibar, S. and S. Gottlöber (2008). "The dynamical structure of dark matter haloes." MNRAS 386: 2022.

Ascasibar, Y., Y. Hoffman, et al. (2007). "Secondary infall and dark matter haloes." MNRAS 376: 393.

Ascasibar, Y., R. Sevilla, et al. (2006). "Adiabatic scaling relations of galaxy clusters." MNRAS 371: 193.

Avila-Reese, V., P. Colín, et al. (2005). "The dependence on environment of Cold Dark Matter Halo properties." Astrophys. Journal 634: 51.

Basilakos, S., M. Plionis, et al. (2005). "The Shape-Alignment relation in Lambda-CDM Cosmic Structures." MNRAS 365: 539.

Borch, A., R. Spurzem, et al. (2007). "NBODY meets stellar population - The HYDE-PARC Project." arXiv:0704.3915.

Brüggen, M. and G. De Lucia (2008). "Ram-pressure histories of cluster galaxies." MNRAS 383: 1336.

Brüggen, M. and M. Hoeft (2005). "Simulations of magnetic fields in the cosmos." Astron. Nachr. 326: 610.

Brüggen, M. and M. Hoeft (2005). "X-ray line tomography of AGN-induced motion in clusters of galaxies." ApJ 617: 896.

Brüggen, M. and M. Hoeft (2006). "Simulations of magnetic fields in the cosmos." Astron. Nachr. 327: 587.

Brüggen, M. and M. Ruszkowski (2005). "AGN heating and dissipative processes in galaxy clusters." ApJ 630: 740.

Brüggen, M., M. Ruszkowski, et al. (2005). "Simulations of magnetic fields in filaments." apJL 631: 21.

Buras, R. (2004). Multi-dimensional Simulations of Core-Collapse Supernovae With a Variable Eddington Factor Technique for Energy-Dependent Neutrino Transport. München, Technische Universität. Doktorarbeit.

Buras, R., M. Rampp, et al. (2006). "Two-dimensional hydrodynamic core-collapse supernova simulations with spectral neutrino transport. I. Numerical method and results for a $15\,M_{\odot}$ star." Astron. Astrophys. 447: 1049.

Buras, R., M. Rampp, et al. (2006). "Two-dimensional hydrodynamic core-collapse supernova simulations with spectral neutrino transport. II. Models for different progenitor stars." Astron. Astrophys. 457: 281.

Cuesta, A. J., J. E. Betancort-Rijo, et al. (2008). "Spin alignment of dark matter haloes in the shells of the largest voids." MNRAS 385: 867.

Dimmelmeier, H., C. D. Ott, et al. (2008). "The gravitational wave burst signal from core collapse of rotating stars." Phys. Rev. D 78: 064056

Ernst, A., P. Glaschke, et al. (2007). "N-body models of rotating globular clusters." MNRAS 377: 465.

Ernst, A., A. Just, et al. (2007). "Escape from the vicinity of fractal basin boundaries of a star cluster." arXiv:0710.4485.

Faltenbacher, A., B. Allgood, et al. (2005). "Imprints of mass accretion on properties of galaxy clusters." MNRAS 362: 1099.

Faltenbacher, A., Y. Hoffman, et al. (2007). "Entropy of gas and dark matter in galaxy clusters." MNRAS 376: 1327.

Faltenbacher, A., Y. Hoffman, et al. (2007). "Entropy of gas and dark matter in galaxy clusters." MNRAS 276: 1327.

Faltenbacher, A., A. V. Kravtsov, et al. (2005). "Supersonic Motions of Galaxies in Clusters." MNRAS 358: 139.

Fiestas, J., R. Spurzem, et al. (2006). "2D Fokker-Planck models of rotating clusters." MNRAS 373: 677.

Finoguenov, A., M. Ruszkowski, et al. (2008). "In-Depth Chandra Study of the AGN Feedback in Virgo Elliptical Galaxy M84." ApJ 686: 911.

Giersz, M., R. Spurzem, et al. (2005). "A hybrid Monte Carlo tool to simulate dense stellar systems." HiA 13: 377.

Gottlöber, S. and G. Yepes (2007). "Shape, spin and baryon fraction of clusters in the MareNostrum Universe." Astrophys. Journal 664: 117.

Heinz, S., M. Brüggen, et al. (2006). "The answer is blowing in the wind: Simulating the interaction of jets with dynamic cluster atmosphere." MNRAS 373: 65.

Hoeft, M. and M. Brüggen (2004). "Feedback in AGN heating of galaxy clusters." ApJ 617: 896.

Hoeft, M. and M. Brüggen (2007). "Radio signature of cosmological structure formation shocks." MNRAS 375: 77.

Hoeft, M., M. Brüggen, et al. (2005). "Radio relics in a cosmological cluster merger simulation." Astron. Nachr. 326: 613.

Hoeft, M., G. Yepes, et al. (2006). "Dwarf galaxies in voids: Suppressing star formation with photo-heating." MNRAS 371: 401.

Hoffman, Y., L. A. Martinez-Vaquero, et al. (2008). "The Local Hubble Flow: Is it a Manifestation of Dark Energy?" MNRAS 386: 390.

Janka, H.-T., R. Buras, et al. (2005). "Neutrino-driven supernovae: An accretion instability in a nuclear physics controlled environment." Nuclear Physics A 758: 19c.

Janka, H.-T., K. Langanke, et al. (2007). "Theory of core-collapse supernovae." Phys. Rep. Invited Review in Bethe Centennial Volume 442: 38.

Janka, H.-T., L. Scheck, et al. (2005). Supernova asymmetries and pulsar kicks - views on controversial issues in: "The Fate pof the most massive stars" p 363. Eta Carinae Science Symposium 2004, Jackson Hole.

Khalatyan, A., A. Cattaneo, et al. (2008). "Is AGN feedback necessary to form red elliptical galaxies?" MNRAS 387: 13.

Kifonidis, K., T. Plewa, et al. (2006). "Non-spherical core collapse supernovae. II. The late-time evolution of globally anisotropic neutrino-driven explosionsand their implications for SN 1987A." Astron. Astrophys. 453: 661.

Kim, E., I. Yoon, et al. (2007). "Comparative study between N-body and Fokker-Planck simulations for rotating star clusters - I. Equal-mass system." MNRAS 1073.

Kissmann, R. (2006). Numerical Investigation of the Turbulent ISM. Bochum, Ruhr-Universität Bochum. Doktorarbeit.

Knebe, A., N. Draganova, et al. (2008). "On the relation between radial alignment of dark matter subhalos and host mass in cosmological simulations." MNRAS 386: 390.

Liebendörfer, M., M. Rampp, et al. (2005). "Supernova simulations with Boltzmann neutrino transport: A comparison of methods." Astrophysical Journal 620: 840.

Linsen, L., T. Long, et al. (2008). "Surface extraction from Multi-field Particle Volume Data using multi-dimensional cluster visualisation." IEEE Visualization 14: 1483-1490.

M. Hoeft, M. Brüggen, et al. (2008). "Diffuse radio emission from clusters in the MNUniverse simulation." MNRAS accepted.

Marek, A. (2007). Multi-Dimensional Simulations of Core-Collapse Supernovae With Different Equations of State For Hot Proto-Neutron Stars. München, Technische UNiversität. Doktorarbeit.

Marek, A. and H.-T. Janka (2009). "Delayed neutrino-driven supernova explosions aided by the standing accretion-shock instability." ApJ in press: arXiv:0708.3372.

Marek, A., H.-T. Janka, et al. (2009). "Equation-of-state dependent features in shock-oscillation modulated neutrino and gravitational-wave signals from supernovae." Astron. Astrophys. in press: arXiv:0808.4136.

Mints, A., P. Glaschke, et al. (2007). "Single star scattering on an open cluster." MNRAS 379: 86.

Olczak, C., S. Pfalzner, et al. (2008). "Encounters in the ONC - observing imprints of star-disc interactions." A&A 448: 191.

Olczak, C., S. Pfalzner, et al. (2006). "Encounter-triggered Disk Mass Loss in the Orion Nebula Cluster." ApJ 642: 1140.

Omarov, C. T., R. Spurzem, et al. (2005). "Some characteristic timescales in a numerical model of the central parts of active galactic nuclei." A&AT 24: 285.

Omarov, C. T., R. Spurzem, et al. (2004). Interaction of the Compact Stellar Cluster with an Accretion Disk in AGNs. Order and Chaos in Stellar and Planetary Systems; ASP Conference Proceedings, San Francisco, Astronomical Society of the Pacific.

Patiri, S. G., J. Betancort-Rijo, et al. (2005). "Adiabatic scaling relations of galaxy clusters." MNRAS 369: 335.

Pfalzner, S. (2004). "Angular Momentum Transfer in Star-Disk Encounters: The Case of Low-Mass Disks." ApJ 602: 356.

Pfalzner, S. (2006). "Cluster-assisted accretion for massive stars." ApJL 652: L129.

Pfalzner, S. (2006). An Introduction to Inertial Confinement Fusion, Taylor & Francis Publ. ISBN 07503070.

Pfalzner, S. (2008). "Encounter-driven accretion in young stellar clusters - A connection to FUors?" A&A accepted.

Pfalzner, S. and C. Olczak (2007). "Gravitational Instabilities induced by Cluster Environment? The encounter-induced angular momentum transfer in discs." A&A 462: 193.

Pfalzner, S. and C. Olczak (2007). "Quasi-binarity of massive stars in young dense clusters - the case of the Orion nebula cluster." Astronomy and Astrophysics 475: 875-882.

Pfalzner, S., C. Olczak, et al. (2006). "The Fate of Discs around Massive Stars in Young Clusters " A&A 454: 811.

Pfalzner, S., J. Tackenberg, et al. (2008). "Accretion bursts in young stars driven by cluster environment." A&A Letters 487: L45.

Pfalzner, S., S. Umbreit, et al. (2005). "Disc-Disc Encounters between Low-Mass Protoplanetary Accretion Discs." ApJ 629: 526.

Pfalzner, S., P. Vogel, et al. (2005). "Parameter Study of Star-Discs Encounters." A&A 437: 967.

Prada, F., A. A. Klypin, et al. (2006). "How far do they go? The outer structure of dark matter halos." ApJ 645: 1001.

Pruet, J., S. E. Woosley, et al. (2005). "Nucleosynthesis in the hot convective bubble in core-collapse supernovae." Astrophys. Journal 623: 325.

Ramirez-Ruiz, E. and S. Rosswog (2009). "The star ingesting luminosity of intermediate mass black holes in globular clusters." ApJ 687: L77-L80.

Rödiger, E. and M. Brüggen (2005). "3D simulations of the ISM-ICM interaction of disk galaxies in cluster." Astron. Nachr. 326: 509.

Roediger, E. and M. Brüggen (2006). "Ram pressure stripping of disc galaxies: the role of the inclination angle." MNRAS 369: 567.

Roediger, E. and M. Brüggen (2007). "Ram pressure stripping of disc galaxies orbiting in clusters - I. Mass and radius of the remaining gas disc." MNRAS 380: 1399.

Roediger, E. and M. Brüggen (2008). "Ram pressure stripping in a viscous intracluster medium." MNRAS 388: L89.

Roediger, E. and M. Brüggen (2008). "Ram pressure stripping of disc galaxies orbiting in clusters. II. Galactic wakes." MNRAS 388: 465.

Roediger, E., M. Brüggen, et al. (2006). "Wakes of ram-pressure-stripped disc galaxies." MNRAS 371: 609.

Roediger, E., M. Brüggen, et al. (2007). "Metal mixing by buoyant bubbles in galaxy clusters." MNRAS 375: 15.

Rosswog, S. (2005). "From neutron star binaries to gamma-ray bursts." Il Nuovo Cimento C 28: 607.

Rosswog, S. (2005). "Mergers of neutron star black hole binaries with small mass ratios: nucleosynthesis, gamma-ray bursts and electromagnetic transients." ApJL 634: 1202.

Rosswog, S. (2006). Gamma-ray bursts and their central engines. NATO Science Series: Superdense QCD matter and compact stars, Dordrecht, Springer.

Rosswog, S. (2007). "Fallback accretion in the aftermath of a compact binary merger." Monthly Notices of the Royal Astronomical Society 376: L48.

Rosswog, S. (2007). "Last moments in the life of a compact binary." Revista Mexicana de Astronomía y Astrofísica 27: 57.

Rosswog, S. and D. Price (2007). "MAGMA: a magnetohydrodynamics code for merger applications." Monthly Notices of the Royal Astronomical Society 379: 915.

Rosswog, S. and D. Price (2008). Meshfree Magnetohydrodynamics. Springer Series: Lecture Notes in Computational Science and Engineering, "Meshfree Methods for Partial Differential Equations IV". editors:, M. Griebel and M. A. Schweitzer. Berlin Heiberg, Springer. pp 247-275.

Rosswog, S., E. Ramirez-Ruiz, et al. (2008). "Atypical Supernovae from tidally crushed white dwarfs." ApJ 679: 1385.

Rosswog, S., E. Ramirez-Ruiz, et al. (2009). "Tidal disruption and ignition of white dwarfs by moderately massive black holes." ApJ 695: 404-419.

Rosswog, S., E. Ramirez-Ruiz, et al. (2008). "Simulating black hole white dwarf encouters." Computer Physics Communications 179: 184.

Ruszkowski, M., M. Brüggen, et al. (2004). "3D AMR simulations of viscous dissipation in the intracluster medium." ApJ 615: 675.

Ruszkowski, M., M. Brüggen, et al. (2005). "Cosmological AMR Simulations of AGN Feedback and Dissipative Processes in Clusters." AAS 205: 161.

Ruszkowski, M., T. A. Enßlin, et al. (2008). "Cosmic ray confinement in fossil cluster bubbles." MNRAS 383: 1359.

Scannapieco, E. and M. Brüggen (2008). "Subgrid Modeling of AGN-driven Turbulence in Galaxy Clusters." ApJ 686: 927.

Scharwächter, J. (2005). Merger Dynamics and the Stellar Populations in the Host Galaxies of the Quasi-Stellar Objects I Zw 1 and 3C 48. Köln, UINiversität Köln. Doktorarbeit.

Scharwächter, J., A. Eckart, et al. (2004). "A multi-particle model of the 3C 48 host." A&A 414: 497.

Scheck, L. (2005). Parametric Studies of Hydrodynamic Instabilities in the Supernova Core by Two- and Three-Dimensional Simulations. München, Technische Universität. Doktorarbeit.

Scheck, L., H.-T. Janka, et al. (2008). "Multidimensional supernova simulations with approximative neutrino transport. II. The advective-acoustic cycle in the supernova core." Astron. Astrophys. 477: 931.

Scheck, L., K. Kifonidis, et al. (2006). "Multidimensional supernova simulations with approximative neutrino transport. I. Neutron star kicks and the anisotropy of neutrino-driven explosions in two spatial dimensions." Astron. Astrophys. 457: 963.

Spurzem, R. (2004). Dynamics of One or Two Black Holes in Galactic Nuclei. Studies of Galaxies in the Young Universe with New Generation Telescope, Proceedings of Japan-German Seminar held in, Sendai, Japan, 2001.

Spurzem, R., P. Berczik, et al. (2004). "Physical Processes in Star-Gas Systems." PASA 21: 188.

Spurzem, R., M. Giersz, et al. (2006). "Dynamics of Planetary Systems in Star Clusters." arXiv:astro-ph/0612757.

Spurzem, R., M. Giersz, et al. (2005). "Anisotropic gaseous models of tidally limited star clusters: comparison with other methods." MNRAS 364: 948.

Tasitsiomi, A., A. V. Kravtsov, et al. (2004). "Density profiles of LCDM clusters." Astrophys. Journal 607: 125.

Tinker, J., A. V. Kravtsov, et al. (2008). "Toward a halo mass function for precision cosmology: the limits of universality." ApJ submitted: astro-ph/0803.2706.

Tomàs, R., M. Kachelrieß, et al. (2005). "Exploiting the neutronization burst of a supernova." Physical Review D71: 063003.

Yepes, G., Y. Ascasibar, et al. (2004). The structure of the ICM from High Resolution SPH simulations. IAU Symposium 195 "Outskirts of Galaxy Clusters: Intense Life in the Suburbs", Cambridge University, Cambridge University Press.

Yepes, G., R. Sevilla, et al. (2008). "Is WMAP3 normalization compatible with the X-ray cluster abundance?" APJL 666: L61.

Yoon, S.-C., P. Podsiadlowski, et al. (2007). "Remnant evolution after a carbon-oxygen white dwarf merger." Monthly Notices of the Royal Astronomical Society 380: 933.

Biophysik (17)

Arashiro, E., J. R. D. d. Felicio, et al. (2007). "Short-Time Dynamics of Polypeptides." J. Chem. Phys. 126: 045107.

Heesen, H. t. (2007). Untersuchung der GAP-katalysierten GTP-Hydrolyse mit Dichtefunktionaltheorie und MD-Simulationen. Bochum, Universität Bochum. Doktorarbeit.

Heesen, H. t., K. Gerwert, et al. (2007). "Role of the arginine finger in Ras-RasGAP revealed by QM/MM calculations." FEBS Lett. 533: 1.

Hertel, B., S. Tayefeh, et al. (2006). "Distortion of the First Transmembrane Domain Alters Gating of Miniature K+ Channel Kcv." J. Membrane Biol. 210: 1.

Kleinerman, D. S., C. Czaplewski, et al. (2008). "Implementations of Nosé-Hoover and Nosé-Poincaré termostats in mesoscopic dynamic simulations with the united-residue model of a polypeptide chain." J. Chem. Phys. 128: 245103.

Liwo, A., C. Czaplewski, et al. (2008). Simulation of protein structure and dynamics with the coarse-grained UNRES force field. Coarse-Graining of Condensed Phase and Biomolecular Systems. G. Voth, Taylor & Francis. in press.

Liwo, A., C. Czaplewski, et al. (2008). "Computational techniques for efficient conformational sampling of proteins." Curr. Opinion Struct. Biol. 18: 134.

Liwo, A., M. Khalili, et al. (2007). "Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins." J. Phys. Chem. B 111: 260.

Makowska, J., K. Baginska, et al. (2008). "Acidic-basic properties of three alanine-based peptides containing acidic and basic side chains: Comparison between theory and experiment." Biopolymers: Peptide Science in press.

Meinke, J. and U. H. E. Hansmann (2007). "Aggregation of beta-Amyloid Fragments." J. Chem. Phys. 126: 014706.

Meinke, J. and U. H. E. Hansmann (2007). "Protein Simulations combining an All-Atom Force Field with a Go-Term." submitted.

Murarka, R. n., A. Liwo, et al. (2007). "Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone." J. Chem. Phys. 127: 155103.

Shen, H., C. Czaplewski, et al. (2008). "Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field." J. Chem. Theory and Comput. in press: DOI:10.1021/ct800063d.

Tayefeh, S. (2007). Computational Study of the Kcv Potassium Channel. Darmstadt, TH Darmstadt. Doktorarbeit.

Tayefeh, S., T. Kloss, et al. (2007). "Molecular Dynamics Simulation Study of the Cytosolic Mouth in Kcv-type Potassium Channels." Biochemistry 46: 4826.

Wolf, S., M. Böckmann, et al. (2008). "Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site." FEBS Lett. 582: 3335-3342.

Wolf, S., E. Freier, et al. (2008). "How Does a Membrane Protein Achieve a Vectorial Proton Transfer Via Water Molecules?" Chem. Phys. Chem. 9(18): 2772-2778.

Chemie (209)

Alijah, A. (2008). Recent progress on small hydrogen molecular ions. Proceedings of the NATO Advanced Research Workshop: "Molecular Self-Organization in Micro-, Nano-, and Macro-Dimensions: From Molecules to Water, to Nanoparticles, DNA and Proteins", in press, Kiev.

Alijah, A. and E. S. Kryachko (2007). "On the N_3O_2^- paradigm." J. Molec. Struct. 844-845: 193-199.

Alijah, A. and A. J. C. Varandas (2004). "Symmetry properties of ro-vibronic states of an X_3 molecule in an upright conical potential." Phys. Rev. Lett. 93: 243003.

Alijah, A. and A. J. C. Varandas (2006). "H_3^+ in the electronic triplet state: current status." Phil. Trans. R. Soc. A 364: 2889-2901.

Alijah, A. and A. J. C. Varandas (2006). "Ro-vibrational states of triplet H_2D^+." J. Phys. Chem. A 110: 5499-5503.

Alijah, A. and A. J. C. Varandas (2008). "H_4^+: what do we know about it?" J. Chem. Phys. 129: 034303.

Anni, M., F. D. Sala, et al. (2005). "Nonradiative Relaxation in Thiophene-S,S-dioxide Derivatives: The Role of the Environment." J. Phys. Chem. B 109: 6004.

Apitz, D., R. P. Bertram, et al. (2005). "Investigation of chromophore-chromophore interaction by electro-optic measurements, linear dichroism, x-ray scattering, and density-functional calculations." Phys. Rev. E 72: 036610.

Appen, J. v. and R. Dronskowski (2005). "Predicting new ferromagnetic nitrides from electronic structure theory: IrFe3N and RhFe3N." ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44: 1205-1210.

Appen, J. v. and R. Dronskowski (2005). "Vorhersage neuer ferromagnetischer Nitride auf der Basis von Elektronenstrukturrechnungen: IrFe3N und RhFe3N." Angew. Chem. 117: 1230.

Appen, J. v. and R. Dronskowski (2006). "Falsification of Pd2N from electronic structure theory." Zeitschrift für anorganische und allgemeine Chemie 632: 2105.

Appen, J. v., M. W. Lumey, et al. (2006). "Mysterious platinum nitride." ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 45: 4365-4368.

Aydeniz, Y., F. Oguz, et al. (2004). "Barriers to Internal Rotation Around the C-N Bond in 3-(o-Aryl)-5-Methyl-Rhodanines Using NMR Spectroscopy and Computational Studies. Electron Density Topological Analysis of the Transition States." Organic & Biomolecular Chemistry 2: 2426-2436.

Bangesh, M. (2007). Theoretical studies on structures and mechanism of vanadium haloperoxidases. Jena, Universität Jena. Doktorarbeit.

Bangesh, M. and W. Plass (2005). "TD-DFT studies on the electronic structure of imidazole bound vanadate in vanadium containing haloperoxidases (VHPO)." J. Mol. Struct. Theochem. 725: 163.

Barić, D., B. Kovačević, et al. (2005). "A Novel Approach in Analyzing Aromaticity by Homo– and Isostructural Reactions: An ab Initio Study of Fluorobenzenes." J. Phys. Chem. A 109: 10594–10606.

Bene, E., P. Martínez, et al. (2009). "Charge transfer in collision,s of C2+ carbon ions with CO and OH targets." Phys. Rev. A 80: 012711.

Bene, E., E. Rozsályi, et al. (2008). Theoretical treatment of direct and indirect processes in ion-biomolecule collisions. Proc. 5th Int. Conf. of AIP (RADAM 2008) 59-70 (2008).

Bene, E., Á. Vibók, et al. (2008). "Ab-initio molecular treatment of charge transfer process induced by collision of C2+ ion with OH radical: linear approach." Chem. Phys. Lett. 455: 159-163.

Bobev, S., J. Merz, et al. (2006). "Unusual Mn-Mn spin coupling in the polar intermetallic compounds CaMn2Sb2 and SrMn2Sb2." INORGANIC CHEMISTRY 45: 4047-4054.

Böckmann, M., C. Peter, et al. (2007). "An atomistic force field for azobenzene compounds adapted for QM/MM simulations with applications to liquids and liquid crystals." J. Chem. Theory Comput. 3: 1789-1802.

Bode, M. (2009). Beiträge zur Chemie übergangsmetallkoordinierter P-Cp*-substituierter Heterocyclen und P,C-Käfigverbindungen. Bonn, Unversität Bonn. PhD thesis.

Botschwina, P., C. Hennig, et al. (2004). "Quantum dynamics of the complex-forming bimolecular reaction Cl- + CD3Cl' -> ClCD3 + Cl'- on a four-dimensional coupled-cluster potential surface." Phys. Chem. Chem. Phys. 6: 4630.

Bredow, T., M. W. Lumey, et al. (2006). "Structure and Stability of TaON Polymorphs." Zeitschrift für anorganische und allgemeine Chemie 632: 1157-1162.

Breza, M. (2005). Supercomputers applications in quantum chemistry pp 41-45. International Workshop on Grid Computing for Complex Problems, Bratislawa, VEDA – the Publishing House of SAS.

Breza, M. (2006). "Model studies of SOCl2 adsorption on carbon nanotubes." J. Mol. Struct. (THEOCHEM) 767: 159-163.

Breza, M. (2006). "On SOCl2 hydrolysis at carbon nanotubes." Chem. Phys. 330: 224–230.

Breza, M. (2006). On some problems of topological analysis of electron density of heavy metal complexes. p 26. European Charge Density Meeting IV., Brandenburg.

Breza, M., I. Kortišová, et al. (2006). "DFT study of the reaction sites of N,N‘-substituted p-phenylenediamine antioxidants." Polym. Degrad. Stab. 91: 2848-2852.

Burkhardt, A., A. Roth, et al. (2006). Magnetic properties of sugar based transition metal complexes. 1st European Chemistry Congress, Budapest, Hungary.

Doltsinis, N. L. (2004). "Ab initio surface hopping study of internal conversion of uridine." Faraday Disc. 127: 231.

Doltsinis, N. L. (2004). "Excited state proton transfer and internal conversion in o-hydroxybenzaldehyde: new insights from nonadiabatic ab initio molecular dynamics." Mol. Phys. 102: 499 - 506.

Doltsinis, N. L. (2005). Ab initio molecular dynamics simulations beyond the Born-Oppenheimer approximation, Ruhr-Universität Bochum. Habilitationsschrift.

Doltsinis, N. L. and K. Fink (2005). "Comment on “Excitations in photoactive molecules from quantum Monte Carlo” [J. Chem. Phys. 121 (2004) 5836]." J. Chem. Phys. 122: 087101.

Doltsinis, N. L. and D. S. Kosov (2005). "Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: a new route via implicit differentiation." J. Chem. Phys. 122: 144101-1 - 144101-7.

Fabiano, E., F. D. Sala, et al. (2005). "Theoretical Study of singlet and triplet excitation energies in oligothiophenes." J. Phys. Chem. A im Druck.

Ferreira, T. M., A. Alijah, et al. (2008). "Hyperspherical motion of H_3^+ and D_3^+ in the electronic triplet state, a ^3\Sigma_u^+." J. Chem. Phys. 128: 054301.

Fickenscher, T., S. Rayaprol, et al. (2006). "Chemical Bonding, Magnetic and Spectroscopic Properties of GdRu2SiC." Zeitschrift für anorganische und allgemeine Chemie 632: 2114.

Fleig, T. and L. K. Sørensen (2006). A Relativistic 4-Component Multi-Reference Coupled Cluster Method. Application to the CsLi Molecule. NIC Symposium 2006, Jülich, John von Neumann Institute for Computing.

Fleig, T., L. K. Sørensen, et al. (2006). Development of a Relativistic 4-Component Multi-Reference Coupled Cluster Method. ICCMSE 2006; Lecture Series on Computer and Computational Science, volume 7B. Leiden, The Netherlands, Brill Academic Publishers: 881-885.

Fleig, T., L. K. Sørensen, et al. (2007). "A relativistic general-order multi-reference coupled cluster method: Initial implementation and application to HBr." Theo Chem Acc 118: 347.

Fokwa, B. P. T., J. v. Appen, et al. (2006). "Synthesis of a missing structural link: the first trigonal planar B-4 units in the novel complex boride Ti(1+x)Os(2-x)RuB2 (x=0.6)." CHEMICAL COMMUNICATIONS: 4419-4421.

Gillessen, M., S. Bobev, et al. (2006). "A density-functional study of the balance of magnetic exchange interactions in CaMn2Sb2and SrMn2Sb2." Zeitschrift für anorganische und allgemeine Chemie.

Gilleßen, M. and R. Dronskowski (2008). "A combinatorial study of full Heusler alloys by first-principles computational methods." J Comput. Chem. accepted.

Groß, A. (2008). Ab initio molecular dynamics simulations of the adsorption of H2 on palladium surfaces. NIC Symposium 2008, Jülich, NIC Series.

Groß, A. (2009). "Ab initio molecular dynamics study of hot atom dynamics after dissociative adsorption of H_2 on Pd(100)." Phys. Rev. Lett. 103: 246101.

Groß, A. (2010). "Ab initio molecular dynamics simulations of the adsorption of H_2 on palladium surfaces." ChemPhysChem. in press.

Groß, A. and A. Dianat (2007). "Hydrogen dissociation dynamics on precovered Pd surfaces: Langmuir is still right." Phys. Rev. Lett. 98: 206107.

Groß, A., A. Eichler, et al. (2006). "Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O2/Pt(111)." J. Chem. Phys. 124: 174713.

Halász, G. J. and Á. Vibók (2010). "Numerical evidence of two aligned conical intersections induced by the Renner effect in bent C2H2+ cation." Int. J. Quant. Chem. in press.

Halász, G. J., Á. Vibók, et al. (2007). "Topological Effects for Non-Symmetrical (Cs) Configurations: The C2H2+ as a case study." J. Chem. Phys. 127: 144108.

Halász, G. J., Á. Vibók, et al. (2006). "D matrix analysis of the Renner-Teller effect: An accurate three-state diabatization for NH2." J. Chem. Phys. 125: 094102.

Halász, G. J., Á. Vibók, et al. (2007). "Conical intersections induced by the Renner effect in polyatomic molecules." J. Phys. A 40: 267-272.

Halász, G. J., Á. Vibók, et al. (2007). "Renner-Teller/Jahn-Teller intersections along the collinear axes of polyatomic molecules: C2H2+ as a case study." J. Chem. Phys. 126: 154309.

Halász, G. J., Á. Vibók, et al. (2009). "Theoretical investigation of the electronic spectrum of pyrazine." Theoretical Chemistry Accounts 125: 503-509.

Halász, G. J., Á. Vibók, et al. (2007). "The electronic nonadiabatic coupling term: Can it be ignored in dynamic calculations." J. Chem. Phys. 127: 244101.

Heckert, M., M. Kallay, et al. (2006). "Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory." J. Chem. Phys. 125: 044108.

Helten, H., M. Engeser, et al. (2009). "Protonation of 2H-azaphosphirene complexes: P-N bond activation and ring expansion reactions." Chem. Eur. J. 15: 2602-2616.

Helten, H., S. Fankel, et al. (2009). "Transient nitrilium-phosphane-ylid complex radical cations – an unprecedented borderline case of dissociation and cycloaddition in open-shell 1,3-dipole chemistry." submitted.

Helten, H., G. v. Frantzius, et al. (2009). "How to tune acid-induced ring-enlargement reactions? The strange case of 2H-azaphosphirene complexes and its surprising dichotomy." Eur. J. Inorg. Chem. in press: DOI: 10.1002/ejic.200900190.

Helten, H., J. M. Pérez, et al. (2009). "First ring-expansion reactions of a transition-metal coordinated s^3l^3-oxaphos-phirane." Organometallics 28: 1221-1226.

Helten, H. and R. Streubel (2007). "Evidence for ligand-centered reactivity of a 17e radical cationic 2H-azaphosphirene complex." Eur J. Inorg. Chem. 29: 4669.

Helten, H., R. Streubel, et al. (2008). "Acid-induced ring enlargement of 2H-azaphosphirene and azaphosphiridine complexes: a new synthetic method in P-heterocyclic chemistry." submitted.

Helten, H., R. Streubel, et al. (2008). "Protonation and ring expansion reactions of 2H-azaphosphirene complexes - A mechanistic study." submitted.

Hennig, C. and S. Schmatz (2004). "State-selected dynamics of the complex-forming bimolecular reaction Cl- + CH3Cl' -> ClCH3 + Cl'-: A four-dimensional quantum scattering study." J. Chem. Phys. 121: 220.

Hennig, C. and S. Schmatz (2005). "Four-dimensional quantum study on exothermic complex-forming reactions: Cl- + CH3Br -> ClCH3 + Br-." J. Chem. Phys., 122: 234307.

Hennig, C. and S. Schmatz (2005). "Reaction cross sections and rate constant in complex forming bimolecular reactions: A 4D study on Cl- + CH3Cl." Phys. Chem. Chem. Phys. 7: 1100.

Hieringer, W. and E. J. Baerends (2005). "First hyperpolarizability of a sesquifulvalene transition metal complex by time dependent density-functional theory." J. Phys. Chem. A 110: 1014.

Horvath-Bordon, E., R. Riedel, et al. (2006). "High-pressure chemistry of nitride-based materials." Chem. Soc. Rev. 35: 987-1014.

Horvath-Bordon, E., R. Riedel, et al. (2007). "High-Pressure Synthesis of Crystalline Carbon Nitride Imide, C2N2(NH)." Angew. Chemie Int. Ed. 46: 1476.

Houben, A., J. Sielk, et al. (2006). "Prediction and synthesis of the new quaternary nitride Ni0.5Rh0.5Fe3N." Zeitschrift für anorganische und allgemeine Chemie 632: 2097.

Ionescu, E., R. Streubel, et al. (2005). "Photochemical and thermal reactions of a 2H-azaphosphirene complex with isonitriles." Organometallics 24: 2237.

Ionescu, E., R. Streubel, et al. (2005). Strong evidence for an unconventional 1,2-(C->P)-silyl migration: formation and reactions of a P-silyl phosphaalkene complex. Organosilicon Chemistry VI - From Molecules to Materials. N. Auner, Wiley: p. 202.

Jaquet, R., H. Haeusele, et al. (2008). "Vibrational analysis of the H4I2O2− 10 ion in CuH4I2O10 · 6H2O10." Spectr. 39: 599.

Jaquet, R. and F. Schneider (2006). "Dispersion of the ordinary refractive index of smectic liquid crystals in free standing films." Phys. Rev. E 74: 011708.

Kirchner, B. and A. P. Seitsonen (2007). "Ionic liquids from Car-Parrinello simulations. 2. Structural diffusion leading to large anions in chloraluminate ionic liquids." Inorg. Chem. 46: 2751.

Klein, R. A. (2003). "Hydrogen Bonding in Diols and Binary Diol–Water Systems Investigated Using DFT Methods. II. Calculated Infrared OH-Stretch Frequencies, Force Constants, and NMR Chemical Shifts Correlate with Hydrogen Bond Geometry and Electron Density Topology. A Reevaluation of Geometrical Criteria for Hydrogen Bonding." J. Comp. Chem. 24: 1120.

Klein, R. A. (2006). "Hydrogen bonding in strained cyclic vicinal diols: The birth of the hydrogen bond." Chem. Phys. Lett. 429: 633.

Klein, R. A. (2006). "Lack of intramolecular hydrogen bonding in glucopyranose: Vicinal hydroxyl groups exhibit negative cooperativity." Chem. Phys. Lett. 433: 165.

Klein, R. A. (2006). "Modified van der Waals atomic radii for hydrogen bonding based on electron density topology." Chem. Phys. Lett. 425: 128.

Klein, R. A. (2006). "Single point calculations using geometries derived at a lower level of theory: Caveats to be observed in using compound levels of theory or ‘double-barrelling’." Chem. Phys. Lett. 423: 413.

Klein, R. A., B. Mennucci, et al. (2004). "Ab Initio Calculations of 17O-NMR Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen-Bond Geometry and Cooperativity." Journal of Physical Chemistry A 108: 5851-5863.

Klein, R. A., B. Menucci, et al. (2004). "Ab Initio Calculations of 17O NMR-Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen-Bond Geometry and Cooperativity." J. Phys. Chem. A 108: 5851.

Klein, R. A. and M. A. Zottola (2006). "Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard." Chem. Phys. Lett. 419: 254.

Knapp, M., D. Crihan, et al. (2007). "Complex Interaction of Hydrogen with the RuO_2(110) Surface." J. Phys. Chem. C 111: 5363.

Knapp, M., D. Crihan, et al. (2005). "Hydrogen Transfer Reaction on the Surface of an Oxide Catalyst." Journal of the American Chemical Society 127: 3236-3237.

Knapp, M., D. Crihan, et al. (2006). "Unusual Process of Water Formation on RuO<SUB>2</SUB>(110) by Hydrogen Exposure at Room Temperature." Journal of Physical Chemistry B 110: 14007-14010.

Knecht, S., H. J. A. Jensen, et al. (2008). "Large-Scale Parallel Configuration Interaction. I. Non-Relativistic and Scalar-Relativistic General Active Space Implementation with Application to (Rb-Ba)+." J. Chem. Phys. 128: 014108.

Kossev, I., W. Reckien, et al. (2007). "Highly ordered two-dimensional hydrogen bonded structures of a large tetralactam macrocycle on the Au(111) surface." Adv. Funct. Mater. 17: 513.

Kovačević, B., D. Barić, et al. (2004). "Basicity of Exceedingly Strong Nonionic Organic Bases in Acetonitrile – Verkade's Superbase and Some Related Phosphazenes." New J. Chem. 28: 284–290.

Kovačević, B., D. Barić, et al. (2004). "The Origin of Aromaticity – Important Role of the Sigma Framework in Benzene." Chem. Phys. Chem. 5: 1352–1364.

Kovačević, B. and Z. B. Maksić (2004). Computational Design of Highly Potent Organic Superbases, p71. NIC Symosium, Jülich, John Neumann Institute for Computing.

Kovačević, B., M. Rožman, et al. (2005). "Gas phase structure of protonated histidine and histidine methyl ester – a combined experimental mass spectrometry and theoretical ab initio study." J. Phys. Chem. A 109: 8329–8335.

Kroll, P. (2005). "A DFT Study of Amorphous Silicon Oxynitride." J. Non-cryst. Solids 351: 1127-1132.

Kroll, P. (2005). High-Pressure Nitride Pases and Amorphous Networks: a Computational Science Approach to Solid State Inorganic Chemistry. Aachen, RWTH Aachen. Habilitationsschrift.

Kroll, P. (2005). "Modelling Polymer Derived Ceramics." J. Eur. Ceram. Soc. 25: 163-174.

Kroll, P. (2005). "Spinel-type gallium oxynitrides attainable at high pressure and high temperature." Phys. Rev. B 72: 144407.

Kroll, P. (2006). Computation of Temperature-Pressure Phase Diagrams of High-Pressure Nitrides. Materials Research at High Pressure, Mat. Res. Symp. Proc. vol. 897E. ed., A. Goncharov, R. Bini, M. R. Manaa and R. J. Hemley.

Kroll, P. (2006). "Temperature Pressure Phase Diagrams of Binary Nitrides." Z. Anorg. Allg. Chem. 632: 2127.

Kroll, P. (2007). Amorphous Ceramic Structures. Ceramics Science and Technology, vol. 1. R. Riedel and I.-W. Chen, Wiley-VCH. in press.

Kroll, P., R. Dronskowski, et al. (2005). "Formation of spinel-type gallium oxynitrides: a density functional study of binary and ternary phases in the system Ga-O-N." J. Mater. Chem. 15: 3296-3302.

Kroll, P., E. Horvath-Bordon, et al. (2006). Single-Crystals of a new Carbon Nitride Phase with all-sp3 Carbon. Materials Research at High Pressure, Mat. Res. Symp. Proc. vol. 897E. ed., A. Goncharov, R. Bini, M. R. Manaa and R. J. Hemley.

Kroll, P., S. Köppke, et al. (2006). "Zu Struktur und Enthalpie sowie zur Ordnung und Unordnung in den Seltenerd-Siliciumoxidnitriden." Z. Anorg. Allg. Chem. 632: 2134.

Kroll, P., T. Schroeter, et al. (2005). "Prediction of novel phases of tantalum(V) nitride (Ta3N5) and tungsten(VI) nitride (WN2) attainable through high pressure/high temperature chemical synthesis." Angew. Chem. Int. Ed. 44: 4249-4254.

Kroll, P. and H. J. Schulte (2006). "Nano-sized crystals of silicon embedded in silica glass: large models and new aspects of the electronic structure." Z. Anorg. Allg. Chem. 632: 2089.

Kroll, P. and H. J. Schulte (2006). Nano-sized Crystals of Silicon Embedded in Silica Glass: Large Scale Models and Aspects of the Electronic Structure. Group IV Semiconductor Nanostructures, Mat. Res. Symp. Proc. Vol. 958, . Eds.:, C. Delerue, L. Tsybeskovet al.

Kroll, P. and H. J. Schulte (2006). "Shell-like structure of valence band orbitals of silicon nanocrystals in silica glass." Phys. stat. sol. (b) 243: R47-R49.

Kroll, P., J. Theuerkauf, et al. (2006). "Modellierung von Eisen-Nanopartikeln in Quarzglas." Z. Anorg. Allg. Chem. 632: 2134.

Kurtulus, Y., R. Dronskowski, et al. (2005). "Electronic structure and magnetic exchange coupling in ferromagnetic full Heusler alloys." Phys. Rev. B 71: 14425.

Langer, H. and N. L. Doltsinis (2004). "Nonradiative decay of photoexcited methylated guanine." Phys. Chem. Chem. Phys. 6: 2742-2748.

Langer, H., N. L. Doltsinis, et al. (2005). "Excited state dynamics and coupled proton-electron transfer of guanine: from the gas phase via microsolvation to aqueous solution." Chem. Phys. Chem. (communication) 6: 1734-1737.

Launay, M. and R. Dronskowski (2005). "A theoretical study on the existence and structures of some hypothetical first-row transition-metal M(NCN) compounds." ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 60: 437-448.

Launay, M. and R. Dronskowski (2005). "A theoretical study on the structures and energetics of hypothetical TiM(NCN)(3) compounds of the 3d transition metals." JOURNAL OF COMPUTATIONAL CHEMISTRY 26: 1180-1188.

Levy, C., G. J. Halász, et al. (2008). "An intraline of conical intersections for a methylamine." J. Chem. Phys. 128: 244302.

Levy, C., G. J. Halász, et al. (2009). "Intra-lines of quasi conical intersections on torsion planes: The methylamine as a case study." J. Phys. Chem. A 113: 6756.

Levy, C., G. J. Halász, et al. (2009). "A Novel intraline of conical intersections for a methylamine: A theoretical study." Int. J. Quant. Chem. 109: 2482-2489.

Lumey, M. W. and R. Dronskowski (2005). "First-Principles Electronic Structure, Chemical Bonding, and High-Pressure Phase Prediction of the Oxynitrides of Vanadium, Niobium, and Tantalum." Zeitschrift für anorganische und allgemeine Chemie 631: 887-893.

Lumey, M.-W. and R. Dronskowski (2003). "The Electronic Structure of Tantalum Oxynitride and the Falsification of alpha-TaON." Z. Anorg. Allg. Chem. 629: 2173.

Lumey, M.-W. and R. Dronskowski (2004). "Maghemite Story: A Classic Functional Material." Adv. Funct. Mat. 14: 371.

Lumey, M.-W. and R. Dronskowski (2005). "Metastable Solids: Chemical Bonding of the Binary Indium Bromides." Z. Anorg. Allg. Chem. 631: 887.

Lupton, E., C. Nonnenberg, et al. (2005). "Stretching Siloxanes: An ab-initio Molecular Dynamics Study." Chem. Phys. Lett. 414: 132.

Maksić, Z. B. and R. Vianello (2004). "Design of Strong, Neutral Organic Superacids: DFT–B3LYP Calculations on Some Isobenzofulvene Derivatives." Eur. J. Org. Chem. 2004: 1940-1945.

Maksić, Z. B. and R. Vianello (2004). "Tailoring of strong neutral organic superacids: DFT–B3LYP calculations on some fulvene derivatives." New J. Chem. 28: 843-846.

Marques, J. M. C., F. B. Pereira, et al. (2008). "On the use of accurate potential energy functions in rare-gas clusters optimization by genetic algorithms: application to argon clusters." J. Phys. Chem. A 112: 6079.

Marques, J. M. C., F. V. Prudente, et al. (2008). "A new genetic algorithm to be used in the direct fit of potential energy curves to ab initio and spectroscopic data." J. Phys. B 41: 085103.

Marx, D. (2004). "Wasser, Eis und Protonen: Mit Quantensimulationen zum molekularen Verständnis von Wasserstoffbrücken, Protonentransfer und Phasenübergängen." Physik Journal 3 (5): 33.

Marx, D. (2006). "Proton Transfer 200 Years after von Grotthus: Insights from Ab Initio Simulations " ChemPhysChem. 7: 1848-1870.

Marx, D. (2007). "Proton Transfer 200 Years after von Grotthus: Insights from Ab Initio Simulations; addendum." ChemPhysChem. 8: 209-210.

Mathias, G. and D. Marx (2007). "Structures and spectral signatures of protonated water networks in bacteriorhodopsin." Proc. Natl. Acad. Sci. USA 104: 6980-6985.

Memmer, R. and O. Fliegans (2003). "Microcanonical equilibrium properties of chiral liquid crystals - A Monte Carlo study." Molecular Physics 101: 1829-1837.

Memmer, R. and O. Fliegans (2003). "Monte Carlo simulation of Twisted Nematic and Supertwisted Nematic LC cells." Phys. Chem. Chem. Phys. 5: 558-566.

Nair, N. N., E. Schreiner, et al. (2006). "Glycine at the Pyrite-Water Interface: The Role of Surface Defects." J. Am. Chem. Soc. 128: 13815-13826.

Nair, N. N., E. Schreiner, et al. (2008). "Peptide Synthesis in Aqueous Environments: The Role of Extreme Conditions on Amino Acid Activation." J. Am. Chem. Soc. 130: 14148-14160.

Nair, N. N., E. Schreiner, et al. (2008). "Magnetostructural Dynamics with the Extended Broken Symmetry Formalism: Antiferromagnetic (2Fe-2S) Complexes." J. Chem. Theor. Comp. 4: 1174-1188.

Nica, S., A. Pohlmann, et al. (2005). "Vanadium V Oxoperoxo Complexes with Side Chain Substituted \textit{N}-salicylidenehydrazides: Modeling Supramolecular Interactions in Vanadium Haloperoxidases." Eur. J. Inorg. Chem. 2005: 2032.

Niewa, R., D. Rau, et al. (2008). "High Pressure–High Temperature Phase Transition of ?’-Fe4N." J. Alloys Compd. in press.

Özbolat, A., G. v. Frantzius, et al. (2008). "Isolation of the first Li/halogen phosphinidenoid transition-metal complex." J. Chem. Soc., Dalton Trans. 20: 2674-2676.

Özbolat, A., R. Streubel, et al. (2007). "Attempted synthesis of 1-aza-3lambda3-phospha-1-allenide complexes: Structure and reactions of an unusual phosphanide complex." Organometallics 26: 4021.

Özbolat, A., R. Streubel, et al. (2007). "Dehydroiodination of iodo- and diiodomethane by a transient phosphinidene complex." Angew. Chem. Int. Ed. 46: 2104.

Özbolat, A., R. Streubel, et al. (2007). "Strong evidence for a transient phosphinidenoid complex." Angew. Chem. Int. Ed. 46: 9327.

Paul, A. K., S. Adhikari, et al. (2009). "Photodissociation of H2+ upon exposure to an intense pulsed photonic Fock-state." J. Phys. Chem. A in press.

Pereira, F. B. and J. M. C. Marques (2008). A Hybrid Evolutionary Algorithm for Cluster Geometry Optimization: the importance of structural elitism. Eighth International Conference on Hybrid Intelligent Systems (HIS 2008), Los Alamitos, CA, USA, DOI 10.1109/HIS.2008.96.

Pereira, F. B. and J. M. C. Marques (2008). A Self-Adaptive Evolutionary Algorithm for Cluster Geometry Optimization. Eighth International Conference on Hybrid Intelligent Systems (HIS 2008), Los Alamitos, CA, USA, DOI 10.1109/HIS.2008.98.

Plass, W. (2003). "Supramolecular interactions of vanadate species: vanadium-V-complexes with N-salicylidenehydrazides as versatile models." Coord. Chem. Rev. 237: 205.

Plass, W. (2004). Magnetic interactions in metal clusters: Magneto-structural correlations based on simple model systems. NIC Symposium 2004, Jülich, NIC Series 20.

Plass, W. (2006). Model studies of vanadium-dependent haloperoxidation: Structural and functional lessons. 5th International Symposium on the Chemistry and Biological Chemistry of Vanadium, San Francisco, USA.

Plass, W. (2006). Quo Vadis, Vanadis? A Bioinorganic and Magnetic Journey. 29th Romanian Chemistry Conference, Calimanesti-Caciulata, Valcea, Romania.

Plass, W. (2007). Triaminoguanidine Ligands as building blocks for magnetic molecules and coordination polymers. Workshop on Molecular Magnetism, Bad Dürkheim, Germany.

Plass, W., M. Bangesh, et al. (2007). "Model studies of vanadium-dependent haloperoxidation: Structural and functional lessons. Synthetic and computational models of supramolecular interactions and the formation of peroxo species." ACS Symposium Series 974: 163.

Plass, W. and H.-P. Yozgatli (2003). "Synthesis, reactivity, and structural characterization of dioxovanadium-V-complexes with tridentate Schiff base ligand: Vanadium complexes in supramolecular networks." Z. Anorg. Allg. Chem. 629: 65.

Plaul, D., D. Geibig, et al. (2009). "Mono- and dinuclear copper(II) complexes with meta-phenylene-bridging ligands: Synthesis, structure and magnetic properties." Polyhedron 28: 1982-1990

Pohlmann, A., S. Nica, et al. (2005). "Dioxovanadium-v-complexes with side chain substituted -N-salicylidenehydrazides modelling supramolecular interactions in vanadium haloperoxidases." Inorg. Chem. Commun. 8: 289.

Pollet, R., C. Boehme, et al. (2006). "Ab Initio Simulations of Desorption and Reactivity of Glycine at a Water-Pyrite Interface at "Iron-Sulfur World" Prebiotic Conditions." Origins Life Evol. Biospheres 36: 363-379.

Prudente, F. V., J. M. C. Marques, et al. (2009). "Time-dependent wave packet calculation of the LiH + H reactive scattering on a new potential energy surface." Chem. Phys. Lett. in press: doi:10.1016/j.cplett.2009.04.016.

Quintiliani, M., A. Kahnt, et al. (2007). "Synthesis and Photoinduced Electron Transfer Properties of Phthalocyanine-[60]Fullerene Conjugates." submitted.

Raab, V., E. Gauchenova, et al. (2005). "1,8–Bis(hexamethyl–triamino–phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge"." J. Am. Chem. Soc. 127: 15738–15743.

Raganato, M. F., V. Vitale, et al. (2004). "The effect of oxigenation on the optical properties of dimethyl-dithienothiophenes." J. Chem. Phys. 121: 3784.

Reckien, W., F. Janetzko, et al. (2009). "Theoretical investigation of formamide adsorption on Ag(111) surfaces." J. Phys. Chem. C submitted.

Reckien, W., C. Spickermann, et al. (2008). "Theoretical energetic and vibrational analysis of amide-templated pseudorotaxanes." Chem. Phys. 343: 186-199.

Ronneteg, S., M. W. Lumey, et al. (2006). "Changes of the magnetic interactions in TlCo2Se2 upon metal substitution." JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 303: 204-213.

Roth, A., J. Becher, et al. (2006). "Trinuclear copper(II) complexes derived from Schiff-base ligands based on a 6-Amino-6-deoxyglucopyranoside: Structural and magnetic characterization." Inorg. Chem. 45: 10066.

Rousseau, R., V. Kleinschmidt, et al. (2004). "Assigning Protonation Patterns in Water Networks in Bacteriorhodopsin Based on Computed IR Spectra." Angew. Chem. Int. 43: 4804.

Rousseau, R., V. Kleinschmidt, et al. (2004). "Modeling protonated water networks in bacteriorhodopsin." Phys. Chem. Chem. Phys. 6: 1848.

Sakong, S., P. Kratzer, et al. (2009). "Isotope effects in the vibrational lifetime of hydrogen on germanium(100): Theory and experiment." J. Chem. Phys. 131: 124502.

Sakong, S., P. Kratzer, et al. (2008). "Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100)." J. Chem. Phys. 129: 174702.

Schilling, H., E. Irran, et al. (2006). "g-TaON: A New Metastable Polymorph of Tantalum Oxynitride." Zeitschrift für anorganische und allgemeine Chemie 632: 2136.

Schilling, H., M. Lerch, et al. (2006). "A new anatase-type phase in the system Mg-Ta-O-N." JOURNAL OF SOLID STATE CHEMISTRY 179: 2416-2425.

Schilling, H., M. Lerch, et al. (2006). "Synthesis, Crystal Structure and High Temperature Behavior of an Anatase-Type Phase in the System Mg-Ta-O-N." Zeitschrift für anorganische und allgemeine Chemie 632: 2138.

Schilling, H., A. Stork, et al. (2007). ".gamma.-TaON: a metastable polymorph of tantalum oxynitride." Angewandte Chemie, International Edition 46: 2931-2934.

Schilling, H., H. Wolff, et al. (2006). "Fluorite-type solid solutions in the system Y-Ta-O-N: A nitrogen-rich analogue to yttria-stabilized zirconia (YSZ)." ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 61: 660-664.

Schmatz, S. (2005). "Four-mode quantum calculations of resonance states in complex-forming bimolecular reactions: Cl- + CH3Br." J. Chem. Phys., 122: 234306.

Schmidt, M., S. Zahn, et al. (2008). "Solution Structure of a Functional Biomimeticum and Mechanistic Implications for Nickel Superoxide Dismutases." ChemBioChem 9: 2135-2146.

Schmittel, M., C. Vavila, et al. (2007). "Elucidation of nonstatistical effects in the cyclization of enyne allene by means of kinetic isotope effects." Angew. Chemie Int. Ed. 46: 6911.

Schreiner, E., N. N. Nair, et al. (2008). "Influence of Extreme Thermodynamic Conditions and Pyrite Surfaces on Peptide Synthesis in Aqueous Media." J. Am. Chem. Soc. ("Three Page Communication" to the Editor) 130: 2768-2770.

Spickermann, C., J. Thar, et al. (2008). "Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture." J. Chem. Phys. 129: 104505.

Spickermann, C., J. Thar, et al. (2008). "Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture." Virtual Journal of Biological Physics Research 16: 6.

Stadler, F., O. Oeckler, et al. (2005). "SrSi6N8 - A Reduced Nitridosilicate with a Si-Si Bond." Angew. Chem. 117: 573-576.

STARIKOV, E. B., S. TANAKA, et al. (2005). "Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model." The European physical journal. E 18: 437-445.

Streubel, R., M. Beckmann, et al. (2009). "Synthesis, structure and ring expansion reactions of a C-ferrocenyl-substituted 2H-azaphosphirene tungsten complex." Eur. J. Inorg. Chem. in press: DOI: 10.1002/ejic.200801234.

Streubel, R., M. Bode, et al. (2007). "Metal-directed synthesis of complexes featuring functional P,C-cage ligands with P-P bonds." Organometallics 26: 1371-1375.

Streubel, R., J. Marinas Perez, et al. (2008). "First ring expansion reactions of a transition metal coordinated sigma^3lambda^3-oxaphosphirane." submitted.

Streubel, R., G. von Frantzius, et al. (2007). "Metal-directed synthesis of complexes featuring functional P,C-cage ligands with P-P bonds." Organometallics 26: 1371.

Tanabe, T., E. B. Starikov, et al. (2006). "Resonant Neutral Particle Emission after Collisions of Electrons with Base-Stacked Oligonucleotide Cations in a Storage Ring." Chem. Phys. Lett. 430: 380-385

Tchougreeff, A. L. and R. Dronskowski (2008). "A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V (TCNE)2." J. Comp. Chem. 29: 2220-2233.

Tew, D. P., W. Klopper, et al. (2007). "Basis set limit CCSD(T) harmonic vibrational frequencies." J. Phys. Chem. A 111: 11242.

Thar, J., R. Hovorka, et al. (2007). "Basis set superposition error along the free-energy surface of the water dimer." J. Chem. Theor. Comp. 3: 1510.

Thar, J. and B. Kirchner (2007). "When is a molecule properly solvated by a continuum model or in a cluster ansatz? A first-principles simulation study of alanine in water." J. Phys. Chem. B submitted.

Timmer, M. and P. Kratzer (2009). "Electron-hole spectra created by adsorption on metals from density-functional theory." Phys. Rev. B 79: 165407

Vianello, R., B. Kovačević, et al. (2004). "Hydrogen Bonding in Complex of Serine With Histidine: Computational and Spectroscopic Study of Model Compounds." Chem. Phys. Lett. 400: 117.

Viegas, L. P. and A. Alijah (2007). "Accurate ab initio-based multi-sheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H_3^+." J. Chem. Phys. 126: 074309.

Viegas, L. P., A. Alijah, et al. (2005). "Symmetry Analysis of the vibronic states in the upper conical potential (2³A') of triplet H^+_3." J. Phys. Chem. A 109: 3307-3310.

von Frantzius, G. and R. Streubel (2006). Rearrangement of molecular complexes. NIC Symposium, Jülich, John von Neumann-Institut für Computing.

von Frantzius, G., R. Streubel, et al. (2005). Strong evidence for an unconventional 1,2-(C->P)-silyl migration: DFT structures and bond strengths (compliance constants). Organosilicon Chemistry VI - From Molecules to Materials. N. Auner, Wiley: p. 209.

von Frantzius, G., R. Streubel, et al. (2006). "How strong is an agostic bond? Direct assessment of agostic interactions using the generalized compliance matrix." Organometallics 25: 118.

Weimer, M., W. Hieringer, et al. (2005). "Electronic and Optical Properties of Functionalized Carbon Chains with the Localized Hartree-Fock and Conventional Kohn-Sham Methods." Chem. Phys. 309: 77.

Wolff, H., T. Bredow, et al. (2007). "A First-Principles Study of the Electronic and Structural Properties of .gamma.-TaON." Journal of Physical Chemistry A 111: 2745-2749.

Wolff, H. and R. Dronskowski (2006). "A first-principles study of defect migration in fluorite-type tantalum oxynitrides." Zeitschrift für anorganische und allgemeine Chemie 632: 2101.

Wolff, H. and R. Dronskowski (2008). "Defect migration in fluorite-type tantalum oxynitrides: A first-principles study. ." Solid State Ionics 179: 816-818.

Wolff, H. and R. Dronskowski (2008). "First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitrides ABO2N (A = Ca, Sr, Ba; B = Ta, Nb)." J. Comp. Chem. 29: 2260-2267.

Wolff, H., M. Lerch, et al. (2008). " A density-functional study on the stability of anatase-type phases in the system Mg-Ta-O-N." Journal of Solid State Chemistry 181: 2684-2689.

Wolff, H., H. Schilling, et al. (2006). "A density-functional and molecular-dynamics study on the physical properties of yttrium-doped tantalum oxynitride." JOURNAL OF SOLID STATE CHEMISTRY 179: 2265-2270.

Wölfle, T., A. Görling, et al. (2007). "Conformational flexibility of metalloporphyrins studied by density-functional calculations." submitted.

Woywod, C., A. Papp, et al. (2010). "Theoretical investigation of the electronic spectrum of pyrazine." Theor. Chem. Acc. 125: 3-6.

Wuttig, M., D. Lusebrink, et al. (2007). "The role of vacancies and local distortions in the design of new phase-change materials." NATURE MATERIALS 6: 122.

Zahn, S., G. Bruns, et al. (2008). "What keeps ionic liquids in flow?" Phys. Chem. Chem. Phys. 10: 6921-6924.

Zahn, S. and B. Kirchner (2008). "Validation of dispersion corrected DFT-approaches for ionic liquid systems." J. Phys. Chem. A 112: 8430-8435.

Zahn, S., W. Reckien, et al. (2009). "Towards Allosteric Receptors: Adjustment of the Rotation Barrier of [2,2]-Bipyridine Derivatives." Chem. Eur. J. in press.

Zahn, S., F. Uhlig, et al. (2008). "Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)." Angew. Chem. Int. Ed. 47: 3639--3641.

Zottola, M. A. and R. A. Klein (2004). "Re-examination of the Solvolysis of Acyl Chlorides. Rethinking the Role of Both Carbonyl and Chloride." Journal of Physical Chemistry A 108: 9328-9330.

Elementarteilchenphysik (248)

Alexandrou, C. and e. al. (2007). "Baryon masses with dynamical twisted mass fermions." PoS LATTICE 2007: 087.

Alexandrou, C. and e. al. (2008). "Delta baryon electromagnetic form factors in Lattice QCD." Phys. Rev. D 79: 014507.

Alexandrou, C. and e. al. (2008). "Light baryon masses with dynamical mass fermions." Phys. Rev. D 78: 014509.

Alexandrou, C. and e. al. (2008). "Nucleon form factors with dynamical twisted mass fermions." PoS LATTICE 2008: 139.

Alexandrou, C., R. Baron, et al. (2008). "Light baryon masses with dynamical twisted mass fermions." Phys. Rev. D 78: 014509.

Alexandrou, C., P. d. Forcrand, et al. (2006). "Evidence for diquarks in lattice QCD." Phys. Rev. Lett. 97: 222002.

Alexandrou, C., T. Korzec, et al. (2007). "Electromagnetic form-factors of the Delta baryon." PoS LATTICE 2007: 149.

Alexandrou, C. and G. Koutsou (2007). "Pion and rho-meson form-factors using four-point functions in N(F) = 2 QCD." PoS LATTICE 2007: 150.

Alexandrou, C. and G. Koutsou (2008). "A study of Hadron Deformation in Lattice QCD." Phys. Rev. D 78: 094506.

Alexandrou, C., G. Koutsou, et al. (2007). "Axial nucleon and nucleon to Δ form factors and the Goldberger-Treiman relations from lattice QCD." Phys. Rev. D 76: 094511.

Alexandrou, C., G. Koutsou, et al. (2007). "Nucleon and nucleon to Delta axial form-factors from lattice QCD." PoS LATTICE 2007: 162.

Alexandrou, C., G. Koutsou, et al. (2008). "The nucleon to Delta electromagnetic transition form factors in lattice QCD." Phys. Rev. D 77: 085012.

Alexandrou, C., G. Koutsou, et al. (2006). "Hadron form-factors using density-density correlators." PoS LATTICE 2006: 113.

Alexandrou, C., T. Leontiou, et al. (2006). "The N to Delta axial transition form factors in quenched and unquenched lattice QCD." PoS LATTICE 2006: 115.

Alexandrou, C., T. Leontiou, et al. (2007). "The Axial N to Delta transition form factors from Lattice QCD." Phys. Rev. Lett. 98: 052003.

Alexandrou, C., J. W. Negele, et al. (2006). "Electromagnetic nucleon form factors." Phys. Rev. D 74: 034508.

Alexandrou, C., C. N. Papanicolas, et al. (2008). "A novel method for the determination of hadron excited states in Lattice QCD applied to the nucleon." PoS LATTICE 2008: 162.

Alexandrou, C. and A. Tsapalis (2006). "A lattice study of pentaquark states." Phys. Rev. D 73: 014507.

Aoki, Y., G. Endrodi, et al. (2006). "The Order of the quantum chromodynamics transition predicted by the standard model of particle physics." Nature 443: 675-678.

Aoki, Y., Z. Fodor, et al. (2006). "The QCD transition temperature: Results with physical masses in the continuum limit." Phys. Lett. B 643: 46-54.

Aoki, Y., Z. Fodor, et al. (2007). "QCD finite T transition - Comparison between Wilson and staggered results." PoS LATTICE 2007: 232.

Attig, N., N. Cundy, et al. (2007). "Simulation of full QCD using Overlap Fermions." Computer Physics Communications 177: 249.

Bakeyev, T. and e. al. (2004). "Structure functions and form factors close to the chiral limit from lattice QCD." Nucl. Phys. Proc. Suppl. 128: 82.

Bakeyev, T., M. Göckeler, et al. (2004). "Non-perturbative renormalisation and improvement of the local vector current for quenched and unquenched Wilson fermions." Phys. Lett. B 580: 197.

Baron, R. and e. al. (2008). "Nucleon axial coupling constant with Nf = 2 twisted mass fermions and other 3 point functions." PoS LATTICE 2008: 162.

Baron, R., P. Boucaud, et al. (2008). "Status of ETMC simulations with Nf=2+1+1 twisted mass fermions." PoS LATTICE2008: 094.

Belletti, F. and e. al. (2007). "QCD on the Cell Broadband Engine." arXiv:0710.2442.

Bietenholz, W. (2007). "The Operator product expansion on the lattice." PoS LAT2007: 159.

Bietenholz, W., S. Capitani, et al. (2004). "Going chiral: overlap versus twisted mass fermions." JHEP 12: 044.

Bietenholz, W., N. Cundy, et al. (2008). "Nucleon structure in terms of OPE with non-perturbative Wilson coefficients." PoS to appear: arXiv:0808.3637.

Bietenholz, W., K. Jansen, et al. (2006). "Exploring Topology Conserving Gauge Actions for Lattice QCD." JHEP 0603: 017.

Bietenholz, W. and S. Shcheredin (2006). "Overlap Hypercube Fermions in QCD Simulations Near the Chiral Limit." Nucl. Phys. B 754: 17.

Blossier, B., G. v. Hippel, et al. (2008). "Efficient use of the Generalized Eigenvalue Problem." PoS LATTICE2008: 135.

Blossier, B., M. D. Morte, et al. (2007). "Heavy-light decay constant at the 1/m order of HQET." PoS LAT2007: 245.

Blossier, B., M. D. Morte, et al. (2009). "On the generalized eigenvalue method for energies and matrix elements in lattice field theory." JHEP submitted: arXiv:0902.1265 [hep-lat].

Bornyakov, V. G., S. M. Morozov, et al. (2007). "Finite temperature Lattice QCD with two flavors of improved Wilson fermions." PoS LAT2007: 171.

Boucaud, P., P. Dimopoulos, et al. (2008). "Dynamical Twisted Mass Fermions with Light Quarks: Simulation and Analysis Details." Comput. Phys. Commun. 179: 695-715.

Braun, V. M. and e. al. (2006). "Distribution amplitudes of pseudoscalar mesons." PoS LAT2006: 122.

Braun, V. M. and e. al. (2006). "Moments of pseudoscalar meson distribution amplitudes from the lattice." Phys. Rev. D 74: 074501.

Braun, V. M. and e. al. (2007). "Distribution Amplitudes of Vector Mesons." PoS LAT2007: 144.

Braun, V. M., M. Göckeler, et al. (2009). "Electroproduction of the N*(1535) resonance at large momentum transfer." Phys. Rev. Lett. submitted: arXiv:0902.3087.

Braun, V. M., M. Göckeler, et al. (2009). "Nucleon distribution amplitudes and proton decay matrix elements on the lattice." Phys. Rev. D in print: arXiv:0811.2712.

Brömmel, D. (2007). "Quark distributions in the pion." PoS LAT2007: 140.

Brömmel, D. (2008). "Hadronic structure from the lattice." Eur. Phys. J. ST 162: 63-71.

Brömmel, D. (2008). "Transverse spin structure of hadrons from lattice QCD." Prog. Part. Nucl. Phys. 61: 73-80.

Brömmel, D. and e. al. (2006). "Structure of the pion from full lattice QCD." PoS LAT2005: 360.

Brömmel, D. and e. al. (2007). "Kaon semileptonic decay form factors from N_f = 2 non-perturbatively O(a)-improved Wilson fermions." PoS LAT2007: 364.

Brömmel, D. and e. al. (2007). "The pion form factor from lattice QCD with two dynamical flavours." Eur. Phys. J. C 51: 335.

Brömmel, D., M. Diehl, et al. (2008). "The spin structure of the pion." Phys. Rev. Lett. 101: 122001.

Buchalla, G. and T. K. Komatubara (2008). "B, D, And K decays." Eur. Phys. J. C57: 309-492.

Capitani, S., S. Durr, et al. (2006). "Rationale for UV-filtered clover fermions." JHEP 0611: 028.

Capitani, S., S. Durr, et al. (2006). "Testing UV-filtered ('fat-link') clover fermions." PoS LAT2006: 157.

Chiarappa, T., F. Farchioni, et al. (2007). "Numerical simulation of QCD with u, d, s and c quarks in the twisted-mass Wilson formulation." Eur. Phys. J. C. 50: 373-383.

Cundy, N. (2006). "Current status of dynamical overlap project." Nucl. Phys. Proc. Suppl. 153: 54.

Cundy, N. (2008). "Block renormalization group transformations and overlap fermions." PoS LATTICE2008: to be published.

Cundy, N. (2008). "Low-lying Wilson Dirac operator eigenvector mixing in dynamical overlap hybrid Monte Carlo." Computer Physics Communications 180: 180-191.

Cundy, N. (2008). "New solutions to the Ginsparg-Wilson equation." Nucl. Phys. B 802: 92.

Cundy, N., M. Göckeler, et al. (2008). "Clover improvement for stout-smeared 2+1 flavour SLiNC fermions: non-perturbative results." PoS LAT2008: 132.

Cundy, N., M. Göckeler, et al. (2009). "Non-perturbative improvement of stout-smeared three flavour clover fermions." Phys. Rev. D submitted: arXiv:0901.3302.

Cundy, N., S. Krieg, et al. (2008). "Numerical methods for the QCD overlap operator. IV: Hybrid Monte Carlo." Computer Physics Communications 180: 26-54.

Cundy, N., S. Krieg, et al. (2006). "Improving the dynamical overlap algorithm." PoS LAT2005: 107.

Cundy, N., S. Krieg, et al. (2007). "Dynamical overlap fermions with increased topological tunnelling." PoS LAT2007: 030.

Cundy, N., S. Krieg, et al. (2008). "Topological tunneling with Dynamical overlap fermions." Computer Physics Communications 180: 201-208.

Datta, S., F. Karsch, et al. (2004). "Behavior of charmonium systems after deconfinement." Phys. Rev. D 69: 094507.

Datta, S., F. Karsch, et al. (2004). "Charmonium systems after the deconfinement transition." J. Phys. G 30: S134.

Datta, S., F. Karsch, et al. (2005). "Meson correlators above deconfinement." J. Phys. G 31: S351.

Datta, S., F. Karsch, et al. (2004). Charmonia at finite momenta in a deconfined plasma. Conference on Strong and Electroweak Matter 2004.

Demmouche, K., F. Farchioni, et al. (2008). "Dynamical simulation of lattice 4d N=1 SYM." PoS LAT2008: 136.

Demmouche, K., F. Farchioni, et al. (2008). "Spectrum of 4d N=1 SYM on the lattice with light dynamical gluinos." PoS LAT2008: 061.

Dimopoulos, P., R. Frezzotti, et al. (2008). "Scaling and chiral extrapolation of pion mass and decay constant with maximally twisted mass QCD." arXiv:0704.3915 [hep-lat].

Dimopoulos, P., L. Giusti, et al. (2006). "Non-perturbative renormalisation of left-left four-fermion operators with Neuberger fermions." Phys. Lett. B 641: 118.

Durr, S., Z. Fodor, et al. (2008). "Ab Initio Determination of Light Hadron Masses." Science 322: 1224-1227.

Durr, S., Z. Fodor, et al. (2008). "Scaling study of dynamical smeared-link Clover fermions." Phys. Rev. D accepted: arXiv:0802.2706.

Durr, S., Z. Fodor, et al. (2008). "Scaling study of dynamical smeared-link clover fermions." Phys. Rev. D submitted: arXiv:0802.2706.

Durr, S., Z. Fodor, et al. (2007). "Chiral behavior of pseudo-Goldstone boson masses and decay constants in 2+1 flavorQCD." PoS LAT2007: 115.

Durr, S., Z. Fodor, et al. (2007). "Mixed action simulations: approaching physical quark masses." PoS LAT2007: 113.

Durr, S., Z. Fodor, et al. (2007). "Precision study of the SU(3) topological susceptibility in the continuum." JHEP 0704: 055.

Durr, S., A. Juttner, et al. (2005). "Signal at subleading order in lattice HQET." Nucl. Phys. Proc. Suppl. 140: 488.

Egri, G. I., Z. Fodor, et al. (2007). "Lattice QCD as a video game " Comput. Phys. Commun. 177: 631.

Egri, G. I., C. Hoelbling, et al. (2006). "Lattice simulation on graphics cards." PoS LAT2006: 034.

Endrodi, G., Z. Fodor, et al. (2007). "The equation of state at high temperatures from lattice QCD." PoS LATTICE 2007: 228.

Endrodi, G., Z. Fodor, et al. (2007). "The Nature of the finite temperature QCD transition as a function of the quark masses." PoS LATTICE 2007: 182.

Farchioni, F., C.Urbach, et al. (2005). "Exploring the phase structure of lattice QCD with twisted mass quarks." Nucl. Phys. B Proc. Suppl. 140: 240.

Farchioni, F., R. Frezzotti, et al. (2005). "Twisted mass quarks and the phase structure of lattice QCD." Eur. Phys. J. C39: 421.

Farchioni, F., C. Gebert, et al. (2004). "Quark mass dependence of pseudo-scalar masses and coupling constants." Nucl. Phys. B Proc. Suppl. 129: 179.

Farchioni, F., P. Hofmann, et al. (2006). "Numerical simulations with two flavors of twisted-mass Wilson quarks and DBW2 gauge action." Eur. Phys. J. C 47: 453-472.

Farchioni, F., K. Jansen, et al. (2005). "Dynamical twisted mass fermions." PoS LAT2005: 072.

Farchioni, F., K. Jansen, et al. (2005). "Lattice spacing dependence of the first order phase transition for dynamical twisted mass fermions." Phys. Lett. B 624: 324-333.

Farchioni, F., K. Jansen, et al. (2005). "Twisted mass fermions: Neutral pion masses from disconnected contributions." PoS LAT2005: 033.

Farchioni, F., K. Jansen, et al. (2005). "The phase structure of lattice QCD with two flavours of Wilson quarks and renormalization group improved gluons." Eur. Phys. J. C42: 73.

Farchioni, F., I. Montvay, et al. (2004). "Quark mass dependence of pseudoscalar masses and decay constants on a lattice." Eur. Phys. J. C 37: 197-204.

Farchioni, F., I. Montvay, et al. (2005). "Unquenched simulations with N_f = 2 light quark flavours." Nucl. Phys. B Proc. Suppl. 140: 249-251.

Farchioni, F., I. Montvay, et al. (2007). "Hadron masses in QCD with one quark flavour." Eur. Phys. J. C 52: 305.

Farchioni, F., I. Montvay, et al. (2008). Hadron spectrum of QCD with one quark flavour. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Farchioni, F., G. Münster, et al. (2007). "Hadron spectrum of QCD with one quark flavor." PoS LAT2007: 135.

Farchioni, F., G. Münster, et al. (2008). "Hadron spectrum of QCD with one quark flavor." PoS LAT2008: 128.

Farchioni, F., G. Münster, et al. (2004). "The Volume Source Technique for flavor singlets: a second look." Eur. Phys. J. C 38: 329.

Farchioni, F. and R. Peetz (2005). "The low-lying mass spectrum of the N=1 SU(2) SUSY Yang-Mills theory with Wilson fermions." Eur. Phys. J. C 39: 87.

Feo, A. (2004). "Predictions and recent results in susy on the lattice." Mod.Phys. Lett. A 19: 2387.

Fodor, Z. (2007). "QCD Thermodynamics." PoS LATTICE2007: 011.

Fodor, Z. (2007). Recent Result in QCD Thermodynamics from the Lattice. 4th International Workshop on Critical Point and Onset Deconfinement, Darmstadt.

Fodor, Z., C. Guse, et al. (2007). "Curvature of the phase transition line in the mu-T plane." PoS LATTICE2007: 189.

Fodor, Z., K. Holland, et al. (2007). "New Higgs physics from the lattice." PoS LAT2007: 056.

Fodor, Z., A. Jakovac, et al. (2007). "Static quark free energies at finite temperature." PoS LATTICE 2007: 196.

Fodor, Z. and S. D. Katz (2006). "Lattice QCD At Non-Vanishing Temperatures And Chemical Potentials." Nucl. Phys. News 16N3: 12.

Fodor, Z., S. D. Katz, et al. (2007). "The density of states method at non-zero chemical potential." JHEP 0703: 121.

Fodor, Z., K. K. Szabo, et al. (2007). "Hadron spectroscopy from canonical partition functions." JHEP 0708: 092.

Fodor, Z., B. C. Toth, et al. (2006). "Spectroscopy from canonical partition functions." PoS LAT2006: 201.

Galletly, D. and e. al. (2004). "Quark spectra and light hadron phenomenology from overlap fermions with improved gauge field action." Nucl. Phys. Proc. Suppl. 128: 82.

Galletly, D. and e. al. (2006). "Nucleon structure from quenched overlap fermions." PoS LAT2005: 363.

Galletly, D. and e. al. (2007). "Hadron spectrum, quark masses and decay constants from light overlap fermions on large lattices." Phys. Rev. D 75: 073015.

Galletly, D., M. Gürtler, et al. (2004). "Quark spectra and light hadron phenomenology from overlap fermions with improved gauge field action." Nucl. Phys. B Proc. Suppl. 129: 453.

Giusti, L., P. Hernandez, et al. (2007). "On K -> pi pi amplitudes with a light charm quark." Phys. Rev. Lett. 98: 082003.

Giusti, L., P. Hernandez, et al. (2004). "A strategy to study the role of the charm quark in explaining the delta-I = 1=2 rule." JHEP 11: 016.

Giusti, L., P. Hernandez, et al. (2008). "Testing chiral effective theory with quenched lattice QCD." JHEP 0805: 024.

Göckeler, a. M., P. Hagler, et al. (2007). Nucleon form factors on the lattice with light dynamical fermions. Proceedings 11th International Baryons Conference, Seoul, Korea.

Göckeler, M. (2008). "Nucleon distribution amplitudes from lattice QCD." Phys. Rev. Lett. 101: 112002.

Göckeler, M. (2009). " Non-perturbative renormalization of three-quark operators." Nucl. Phys. B 812: 205-242.

Göckeler, M. and e. al. (2004). "Structure of the nucleon." Nucl. Phys. Proc. Suppl. 128: 203.

Göckeler, M. and e. al. (2005). "Generalized parton distributions and structure functions from full lattice QCD." Nucl. Phys. Proc. Suppl. 140: 399.

Göckeler, M. and e. al. (2005). "Generalized parton distributions and transversity from full lattice QCD." Nucl. Phys. A 755: 537.

Göckeler, M. and e. al. (2005). "Investigation of the second moment of the nucleon's g1 and g2 structure functions in two-flavor lattice QCD." Phys. Rev. D 72: 054507.

Göckeler, M. and e. al. (2005). "Quark helicity flip generalized parton distributions from two-flavor lattice QCD." Phys. Lett. B 627: 113.

Göckeler, M. and e. al. (2006). "A determination of the strange quark mass for unquenched clover fermions using the AWI." PoS LAT2005: 078.

Göckeler, M. and e. al. (2006). "Determining the strange quark mass for 2-flavour QCD." Nucl. Phys. Proc. Suppl. 153: 154.

Göckeler, M. and e. al. (2006). "Estimating the unquenched strange quark mass from the lattice axial Ward identity." Phys. Rev. D 73: 054508.

Göckeler, M. and e. al. (2006). "Meson decay constants from N(f) = 2 clover fermions." PoS LAT2005: 063.

Göckeler, M. and e. al. (2006). "Moments of generalized tensor parton distributions." PoS LAT2006: 055.

Göckeler, M. and e. al. (2006). "Nucleon form factors: Probing the chiral limit." PoS LAT2006: 120.

Göckeler, M. and e. al. (2006). "Nucleon structure from generalized parton distributions in lattice QCD." Nucl. Phys. Proc. Suppl. 153: 146.

Göckeler, M. and e. al. (2006). "Second moment of the pion's distribution amplitude." Nucl. Phys. Proc. Suppl. 161: 69.

Göckeler, M. and e. al. (2006). "Simulating at realistic quark masses: Light quark masses." PoS LAT2006: 160.

Göckeler, M. and e. al. (2006). "Simulating at realistic quark masses: Pseudoscalar decay constants and chiral logarithms." PoS LAT2006: 179.

Göckeler, M. and e. al. (2006). "Transverse spin densities from lattice QCD." PoS LAT2006: 108.

Göckeler, M. and e. al. (2007). "Nucleon electromagnetic form factors with Wilson fermions." PoS LAT2007: 161.

Göckeler, M. and e. al. (2007). "Nucleon form factors on the lattice with light dynamical fermions." arXiv:0709.3370 [hep-lat].

Göckeler, M. and e. al. (2007). "Probing nucleon structure on the lattice." Eur. Phys. J. A 32: 445.

Göckeler, M. and e. al. (2007). "Transverse spin structure of the nucleon from lattice QCD simulations." Phys. Rev. Lett. 98: 222001.

Göckeler, M., P. Hägler, et al. (2007). "Probing the chiral limit with clover fermions. II. The Baryon sector." PoS LAT2007: 129.

Göckeler, M., T. R. Hemmert, et al. (2005). "Nucleon electromagnetic form factors on the lattice and in chiral effective field theory." Phys. Rev. D 71: 034508.

Göckeler, M., R. Horsley, et al. (2005). "Determination of Lambda in quenched and full QCD: An update." Nucl. Phys. Proc. Suppl. 140: 228.

Göckeler, M., R. Horsley, et al. (2006). "Determination of light and strange quark masses from full lattice QCD." Phys. Lett. B 639: 307.

Göckeler, M., R. Horsley, et al. (2006). "A determination of the Lambda parameter from full lattice QCD." Phys. Rev. D 73: 014513.

Göckeler, M., R. Horsley, et al. (2007). "Moments of nucleon distribution amplitudes from irreducible three-quark operators." PoS LAT2007: 147.

Göckeler, M., R. Horsley, et al. (2004). "Vacuum polarisation and hadronic contribution to muon g-2 from lattice QCD." Nucl. Phys. B 688: 135.

Göckeler, M., R. Horsley, et al. (2004). "Vacuum polarisation and the muon g-2 in lattice QCD." Nucl. Phys. Proc. Suppl. 129: 293.

Göckeler, M., R. Horsley, et al. (2007). "A Status report of the QCDSF N(f) = 2+1 Project." PoS LAT2007: 041.

Göckeler, M., R. Horsley, et al. (2008). "Extracting the rho resonance from lattice QCD simulations at small quark masses." PoS to appear: arXiv:0810.5337.

Göckeler, M., R. Horsley, et al. (2005). "Perturbative renormalisation of the second moment of generalised parton distributions." Nucl. Phys. B 717: 304.

Göckeler, M., R. Horsley, et al. (2006). "Renormalisation of composite operators in lattice perturbation theory with clover fermions: Non-forward matrix elements." Eur. Phys. J. C 48: 523.

Göckeler, M., R. Horsley, et al. (2006). "One-loop Renormalisation of Lattice QCD Operators for Non-forward Matrix Elements: From Clover to Overlap Fermions." PoS LAT2006: 161.

Göckeler, M., R. Horsley, et al. (2006). "Operator product expansion on the lattice: Analytic Wilson coefficients." PoS LAT2006: 119.

Göckeler, M., R. Horsley, et al. (2004). "Generalized parton distributions from lattice QCD." Phys. Rev. Lett. 92: 042002.

Göckeler, M., R. Horsley, et al. (2005). "A lattice determination of moments of unpolarised nucleon structure functions using improved Wilson fermions." Phys. Rev. D 71: 114511.

Grozin, A. G., D. Guazzini, et al. (2007). "The B-meson mass splitting from non-perturbative quenched lattice QCD." PoS LAT2007: 100.

Guazzini, D. (2007). Heavy-light mesons in lattice HQET and QCD, Humboldt-Universität Berlin. Doktorarbeit.

Guazzini, D., H. B. Meyer, et al. (2007). "Non-perturbative renormalization of the chromo-magnetic operator in heavy quark effective theory and the B* - B mass splitting." JHEP 0710: 081.

Guazzini, D., R. Sommer, et al. (2006). "m(b) and f(B/s) from a combination of HQET and QCD." PoS LAT2006: 084.

Guazzini, D., R. Sommer, et al. (2008). "Precision for B-meson matrix elements." JHEP 0801: 076.

Gürtler, M. and e. al. (2005). "A lattice determination of g(A) and from overlap fermions." Nucl. Phys. Proc. Suppl. 140: 707.

Gürtler, M., R. Horsley, et al. (2005). "A lattice determination of g_A and <x> from overlap fermions." Nucl. Phys. B. Proc. Suppl. 140: 707.

Gürtler, M., R. Horsley, et al. (2006). "Non-perturbative renormalisation for overlap fermion." PoS LAT2005: 125.

Gürtler, M., T. Streuer, et al. (2006). "Quark masses from quenched overlap fermions." PoS LAT2005: 077.

Hasenbusch, M. and K. Jansen (2003). "Speeding up Lattice QCD simulations with clover-improved Wilson Fermions." Nucl. Phys. B 659: 299.

Heitger, J., A. Juttner, et al. (2004). "Non-perturbative tests of heavy quark effective theory." JHEP 0411: 048.

Heitger, J., A. Juttner, et al. (2005). "Non-perturbative tests of HQET in small-volume quenched QCD." Nucl. Phys. Proc. Suppl. 140: 485.

Hernandez, P. and M. Laine (2004). "Charm mass dependence of the weak Hamiltonian in Chiral Perturbation Theory." JHEP 018.

Hernandez, P. and M. Laine (2006). "Probing the chiral weak Hamiltonian at finite volumes." JHEP 0610: 069.

Hernandez, P., M. Laine, et al. (2007). "Weak low-energy couplings from topological zero-mode wavefunctions." PoS LAT2007: 356.

Hernandez, P., M. Laine, et al. (2008). "Determination of the Delta S = 1 weak Hamiltonian in the SU(4) chiral limit through topological zero-mode wave functions." JHEP 0805: 043.

Hippel, G. v., R. Sommer, et al. (2008). "Ds physics from fine lattices." PoS LATTICE2008: 227.

Hoffmann, R., M. D. Morte, et al. (2006). "Restoring chiral symmetry to O(a**2) for dynamical Wilson fermions." PoS LAT2005: 232.

Hofmann, P. (2005). Chirale Störungstheorie für Twisted-Mass Gitter-QCD. Münster, Universität Münster. Diplomarbeit.

Horsley, R., T. Izubuchi, et al. (2008). "The Electric dipole moment of the nucleon from simulations at imaginary vacuum angle theta." submitted arXiv:0808.1428.

Horsley, R., H. Perlt, et al. (2004). "One-loop renormalisation of quark bilinears for overlap fermions with improved gauge actions." Nucl. Phys. B 693: 3.

Horsley, R., H. Perlt, et al. (2005). "Erratum to: One-loop renormalisation of quark bilinears for overlap fermions with improved gauge actions." Nucl. Phys. B 713: 601.

Horsley, R., H. Perlt, et al. (2005). "Renormalisation of one-link quark operators for overlap fermions with Luescher-Weisz gauge action." Phys. Lett. B 628: 66.

Horsley, R., H. Perlt, et al. (2006). "Perturbative renormalisation of quark bilinear operators for overlap fermions with and without stout links and improved gauge action." PoS LAT2005: 238.

Horsley, R., H. Perlt, et al. (2008). "Perturbative determination of c(SW) for plaquette and Symanzik gauge action and stout link clover fermions." Phys. Rev. D 78: 054504.

Horsley, R., H. Perlt, et al. (2007). "Perturbative determination of c_SW with Symanzik improved gauge action and stout smearing." PoS LAT2007: 250.

Horsley, R., P. E. L. Rakow, et al. (2008). "Clover improvement for stout-smeared 2+1 flavour SLiNC fermions: Perturbative results." PoS to appear: arXiv:0809.4769.

Ilgenfritz, E. M., K. Koller, et al. (2007). "Vacuum structure as seen by overlap fermions." AIP Conf. Proc. 892: 187-190.

Ilgenfritz, E. M., K. Koller, et al. (2007). "Localization of overlap modes and topological charge, vortices and monopoles in SU(3) LGT." PoS LAT2007: 311.

Ilgenfritz, E. M., D. Leinweber, et al. (2007). "Vacuum structure revealed by over-improved stout-link smearing compared with the overlap analysis for quenched QCD." Phys. Rev. D 77: 074502.

Ilgenfritz, E. M. L., K. Koller, et al. (2007). "Exploring the structure of the quenched QCD vacuum with overlap fermions." Phys. Rev. D 76: 034506.

Izubuchi, T., S. Aoki, et al. (2007). " Dynamical QCD simulation with theta terms." PoS LAT2007: 106.

Jansen, K., C. Michael, et al. (2008). "The static-light meson spectrum from twisted mass lattice QCD." JHEP 12: 058.

Jansen, K., C. Michael, et al. (2008). "The eta-prime meson from lattice QCD." Eur. Phys. J. C58: 261-269.

Jansen, K., A. Nube, et al. (2008). "Wilson twisted mass fermions in the epsilon regime." PoS LAT2008: http://arxiv.org/PS_cache/arxiv/pdf/0810/0810.0300v2.pdf.

Jansen, K., M. Papinutto, et al. (2005). "Light quarks with twisted mass fermions." Phys. Lett. B 619: 184.

Jansen, K., A. Shindler, et al. (2004). "Scaling test for Wilson twisted mass QCD." Phys. Lett. B 586: 432.

Jürgens, H. (2006). Methoden der Spektrumanalyse. Münster, Universität Münster. Diplomarbeit.

Kaneko, T., S. Aoki, et al. (2007). "Non-perturbative improvement of the axial current with three dynamical flavors and the Iwasaki gauge action." JHEP 0704: 092.

Khan, A. A. and e. al. (2004). "Accelerating Hasenbusch's acceleration of hybrid Monte Carlo." Nucl. Phys. Proc. Suppl. 129: 853.

Khan, A. A. and e. al. (2004). "Chiral perturbation theory and finite size effects on the nucleon mass in unquenched QCD." Nucl. Phys. Proc. Suppl. 129: 176.

Khan, A. A. and e. al. (2004). "The nucleon mass in N(f) = 2 lattice QCD: Finite size effects from chiral perturbation theory." Nucl. Phys. B 689: 175.

Khan, A. A. and e. al. (2005). "Axial and tensor charge of the nucleon with dynamical fermions." Nucl. Phys. Proc. Suppl. 140: 408.

Khan, A. A. and e. al. (2006). "The axial charge of the nucleon on the lattice and in chiral perturbation theory." PoS LAT2005: 249.

Khan, A. A. and e. al. (2006). "The Axial Charge Of The Nucleon: Lattice Results Compared With Chiral Perturbation Theory." Nucl. Phys. Proc. Suppl. 153: 128.

Khan, A. A. and e. al. (2006). "Axial coupling constant of the nucleon for two flavours of dynamical quarks in finite and infinite volume." Phys. Rev. D 74: 094508.

Khan, A. A., A. Al-Haydari, et al. (2009). "Matrix elements of heavy-light mesons from a fine lattice." PoS Confinement-8: arXiv:0901.0822, to appear.

Khan, A. A., V. Braun, et al. (2007). "Decay constants of charm and beauty pseudoscalar heavy-light mesons on fine lattices." Phys. Lett. B 652: 150-157.

Khan, A. A., V. Braun, et al. (2007). "Decays of mesons with charm quarks on the lattice." PoS LAT2007: 343.

Krieg, S., N. Attig, et al. (2008). "A comparison of methods to calculate the chiral condensate with overlap fermions." Comp. Phys. Comm. 179: 181-183.

Kurth, T. (2007). Investigation of Topological Susceptibility in Lattice QCD. Wuppertal, Universität Wuppertal. Diplomarbeit.

Laermann, E., A. Francis, et al. (2008). "Recent results on screening masses." PoS LATTICE2008: 193.

Laermann, E., F. Karsch, et al. (2004). Light quark meson correlations at high temperature. Conference on Strong and Electroweak Matter 2004.

Laermann, E., S. Shcheredin, et al. (2007). "Hadronic excitations at high temperature." Nucl. Phys. A 785: 261.

M. Göckeler, R. H., H. Perlt, P. E. L. Rakow, A. Sch"afer, and G. S. a. A. Schiller (2005). "One-loop renormalisation for the second moment of GPDs with Wilson fermions." Nucl. Phys. Proc. Suppl. 140: 722.

Maurer, T. (2008). Moments of unpolarized nucleon structure functions in chirally improved lattice quantum chromodynamics. Regensburg, UNiversität Regensburg. Diplomarbeit.

Meyer, H. B., H. Simma, et al. (2007). "Exploring the HMC trajectory-length dependence of autocorrelation times in lattice QCD." Comput. Phys. Commun. 176: 91.

Meyer, H. B. and O. Witzel (2006). "Trajectory length and autocorrelation times: N(f) = 2 simulations in the Schroedinger functional." PoS LAT2006: 032.

Montvay, I., F. Farchioni, et al. (2004). QCD spectroscopy with three light quarks. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Morte, M. D. and e. al. (2007). "Preparing for Nf=2 simulations at small lattice spacings." PoS LAT2007: 255.

Morte, M. D. and e. al. (2008). "Scaling test of two-flavor O(a)-improved lattice QCD." JHEP 0807: 037.

Morte, M. D., S. Durr, et al. (2008). "Heavy-strange meson decay constants in the continuum limit of quenched QCD." JHEP 0802: 078.

Morte, M. D., R. Frezzotti, et al. (2005). "Computation of the strong coupling in QCD with two dynamical flavours." Nucl. Phys. B 713: 378.

Morte, M. D., P. Fritzsch, et al. (2007). "Towards a non-perturbative matching of HQET and QCD with dynamical light quarks." PoS LAT2007: 246.

Morte, M. D., P. Fritzsch, et al. (2008). "Non-perturbative quark mass dependence in the heavy-light sector of two-flavour QCD." PoS LATTICE2008: 226.

Morte, M. D., N. Garron, et al. (2007). "Heavy quark effective theory computation of the mass of the bottom quark." JHEP 0701: 007.

Morte, M. D., N. Garron, et al. (2006). "A quenched study of m(b) in HQET beyond the leading order." PoS LAT2005: 224.

Morte, M. D., N. Garron, et al. (2006). "A strategy for the computation of m(b) including 1/m terms." PoS LAT2005: 223.

Morte, M. D., R. Hoffmann, et al. (2005). "Non-perturbative quark mass renormalization in two-flavor QCD." Nucl. Phys. B 729: 117.

Morte, M. D., R. Hoffmann, et al. (2006). "Towards a non-perturbative computation of the RGI strange quark mass with two dynamical flavors." PoS LAT2005: 233.

Morte, M. D., R. Hoffmann, et al. (2005). "Non-perturbative renormalization of the axial current with dynamical Wilson fermions." JHEP 0507: 007.

Morte, M. D., R. Hoffmann, et al. (2005). "Non-perturbative improvement of the axial current for dynamical Wilson fermions." JHEP 0503: 029.

Morte, M. D., A. Shindler, et al. (2005). "On lattice actions for static quarks." JHEP 0508: 051.

Ohtani, Q. M. and e. al. (2007). "Moments of generalized parton distributions and quark angular momentum of the nucleon." PoS LAT2007: 158.

Peetz, R. (2003). Spectrum of N = 1 Super Yang Mills Theory on the Lattice with a Light Gluino. Münster, Universität Münster. Doktorarbeit.

Rau, S. (2006). Vergleich verschiedener Approximationen in der chiralen Störungstheorie für Twisted-Mass Gitter-QCD. Münster, Universität Münster. Diplomarbeit.

Schierholz, G. (2008). "Progress in lattice QCD." Int. J. Mod. Phys. A 22: 5453-5462.

Schmalle, H. (2004). Spin-1 Zustände der N=1 SU(2) Super Yang-Mills Theorie auf dem Gitter. Münster, Universität Münster. Diplomarbeit.

Scorzato, L., F. Farchioni, et al. (2006). "N_f=2 lattice QCD and chiral perturbation theory." Nucl. Phys. B Proc. Suppl. 153: 283.

Sekido, T., K. Ishiguro, et al. (2007). "Study of the structure of the QCD vacuum with valence overlap fermions and monopoles." PoS LAT2007: 330.

Shcheredin, S. (2005). Simulations of lattice fermions with chiral symmetry in quantum chromodynamics. Berlin, Humboldt-Universität. Doktorarbeit.

Shcheredin, S. and E. Laermann (2006). "Dynamical simulations of QCD at finite temperature with a truncated perfect action." PoS LAT2006: 146.

Sommer, R. (2005). "Non-perturbative heavy quark effective theory: A test and its matching to QCD." AIP Conf. Proc. 756: 112.

Sommer, R. (2006). "Determining fundamental parameters of QCD on the lattice." Nucl. Phys. Proc. Suppl. 160: 27.

Sommer, R. (2008). Non-perturbative QCD: Renormalization, O(a)-improvement and matching to heavy quark effective theory. Workshop on Perspectives in Lattice QCD, 31 Oct - 11 Nov 2005, Nara, Japan, World Scientific, Singapore.

Sudmann, T. (2005). Chirale Störungstheorie für Mesonen in der Twisted-Mass Gitter-QCD. Münster, Universität Münster. Diplomarbeit.

Szabo, K. K. (2008). Dynamical fermions in lattice quantum chromodynamics. arXiv:0801.0224 [hep-lat]. Wuppertal, UIniversität Wuppertal. Doktorarbeit.

Warkentin, N., V. M. Braun, et al. (2008). "Wave functions of the nucleon and its parity partner from lattice QCD." PoS to appear: arXiv:0811.2212.

Weinberg, V., E. M. Ilgenfritz, et al. (2007). "The Chiral transition on a 24**3 x 10 lattice with N(f) = 2 clover sea quarks studied by overlap valence quarks." PoS LAT2007: 236.

Weinberg, V., E. M. Ilgenfritz, et al. (2006). "The QCD vacuum probed by overlap fermions." PoS LAT2006: 078.

Wennekers, J. (2006). Non-perturbative studies of QCD for small quark masses. Hamburg, Universität Hamburg. Doktorarbeit.

Wennekers, J. and H. Wittig (2005). "On the renormalized scalar density in quenched QCD." JHEP 0509: 118.

Wissel, S. (2006). Mesonic Correlation Functions from Light Quarks and their Spectral Representation in Hot Quenched Lattice QCD. Bielefeld, Universität Bielefeld. PhD thesis.

Wissel, S., E. Laermann, et al. (2006). "Meson correlation functions at high temperature." PoS LAT2005: 164.

Erde (67)

Alkhatib, H. (2007). On Monte Carlo methods with applications to the current satellite gravity missions. Bonn, Universität Bonn. Doktorarbeit.

Alkhatib, H. and W.-D. Schuh (2007). "Integration of the Monte Carlo covariance estimation strategy into tailored solution procedures for large-scaled least squares problems." J. Geodesy 70: 53-66.

Boxhammer, C. (2006). Effiziente numerische Verfahren zur sphärischen harmonischen Analyse von Satellitendaten. Bonn, Universität Bonn. Doktorarbeit.

Boxhammer, C. and W.-D. Schuh (2006). GOCE gravity field modeling: computational aspects - free kite numbering scheme. Observation of the Earth System from Space. C. R. R. Rummel, M. Rothacher, G. Boedecker, U. Schreiber, J. Flury. Berlin - Heidelberg, Springer: pp. 209-224.

Breuer, M. (2005). The role of inertia in convectively driven flows - a numerical investigation. Münster, Universität Münster. Doktorarbeit.

Breuer, M., S. Wesseling, et al. (2004). "Effect of inertia in Rayleigh Benard Convection." Phys. Rev. E 69: 026302.

Brockmann, J. M. (2008). Effiziente Varianzkomponenentenschätzung über iterative Techniken bei der GOCE--Daten Prozessierung. Bonn, Universität Bonn. Diplomarbeit.

Brockmann, J. M. and W.-D. Schuh (2008). Fast variance component estimation in GOCE data processing. Gravity, Geoid and Earth Observation, accepted, Springer.

Doicu, A., S. Hilgers, et al. (2007). "Information operator approach and iterative regularization methods for atmospheric remote sensing." Journal of Quantitative Spectroscopy and Radiative Transfer 103(2): 340-350.

Friess, U., P. S. Monks, et al. (2006). "MAX-DOAS O4 measurements: A new technique to derive information on atmospheric aerosols - Retrieval of aerosol properties." J. Geophys. Res. 111: D14203.

Gottschaldt, K.-D. (2004). Vermischung in 3D sphärischen Konvektionsmodellen des Erdmantels. Jena, Friedrich-Schiller-Universität. PhD.

Gottschaldt, K.-D., U. Walzer, et al. (2006). "Stirring in 3-d spherical models of convection in the Earth’s mantle." Philosophical Magazine 86: 3175-3204.

Harder, H. and U. Hansen (2005). "A finite volume solution method for thermal convection and dynamo problems in spherical shells." Geophys. J. Int. 161: 522.

Heinold, B., J. Helmert, et al. (2007). "Regional modeling of Saharan dust events using LM-MUSCAT: Model description and case studies." Journal of Geophysical Research (D) 112: D11204.

Heinold, B., A. Tilgner, et al. (2005). "Meteorological characterisation of the FEBUKO hill cap cloud experiments, Part mII: Tracer experiments and flow characterisation with nested non-hydrostatic atmospheric models." Atm. Env. 39: 4195.

Hendrick, F., M. V. Roozendael, et al. (2006). "Intercomparison exercise between different radiative transfer models used for the interpretation of ground-based zenith-sky and multi-axis DOAS observations." Atmos. Chem. Phys. 6: 93-108.

Huttig, C. and K. Stemmer (2008). "Finite volume discretization for dynamic viscosities on Voronoi grids, Physics of the Earth and Planetary Interiors." in press.

Huttig, C. and K. Stemmer (2008). "The spiral grid: A new approach to discretize the sphere and its application to mantle convection." Geochem. Geophys. Geosyst. 9: 13.

Jacobi, H.-W., L. Kaleschke, et al. (2006). "Observation of a fast ozone loss in the marginal ice zone of the Arctic Ocean,." J. Geophys. Res. 111: D15309.

Jahn, S. (2008). Fluids under extreme conditions of pressure and temperature and their role in geological processes. NIC Symposium 2008, Jülich, John von Neumann Institute for Computing.

Jahn, S. and B. Wunder (2009). "Lithium speciation in aqueous fluids at high P and T studied by ab initio molecular dynamics and consequences for Li-isotope fractionation between minerals and fluids." Geochimica et Cosmochimica Acta 73: 5428.

King, E. M., S. Stellmach, et al. (2009). "Boundary layer control of rotating convection systems." Nature 457: 301.

Koch, K.-R., J. Kusche, et al. (2004). "Parallel Gibbs Sampling for Computing and Propagating Large Covariance Matrices." Zeitschrift für Vermessungswesen 129: 32-427.

Lieber, M. and R. Wolke (2008). "Optimizing the coupling in a parallel air quality model system." Environmental Modelling & Software 23: 235.

Loddoch, A. (2007). Temporal variations in the convective style of planetary mantles. Münster, Universität Münster. Doktorarbeit.

Loddoch, A. and J. Schmalzl (2006). "Variable quality compression of fluid dynamical data sets using a 3-D DCT technique." Geochem. Geophys. Geosyst. 7: Q01003.

Loddoch, A., C. Stein, et al. (2006). "Thermal variations in the convective style of planetary mantles." Earth Planet. Sci. Lett. 251: 79.

Pail, R., B. Metzler, et al. (2007). "GOCE-Schwerefeldprozessierung: Software-Architektur und Simulationsergebnisse." Zeitschrift für Vermessungswesen 132: 16.

Pail, R., W.-D. Schuh, et al. (2005). GOCE Gravity Field Processing. Gravity, Geoid and Space Missions (Lecture Notes in Earth Sciences 129). L. B. C. Jekeli, J. Fernandes. Berlin - Heidelberg - New York, Springer.

Przybilla, J. (2007). Akustische und elastische Energietransfertheorie in kontinuierlichen Zufallsmedien und ihre Anwendugn in der Seismologie. Fakultät für Physik und Geowissenschaften. Leipzig, Universität Leipzig. Doktorarbeit.

Przybilla, J. and M. Korn (2007). "Monte Carlo simulations of radiative transfer in continuous elastic random media - Three-component envelopes and numerical validation." Geophys. J. In. submitted.

Przybilla, J., M. Korn, et al. (2006). "Radiative transfer of elastic waves versus finite difference simulations in two-dimensional random media." J. geophys. Res. 111: B04305.

Rozanov, V. V. and A. V. Rozanov (2007). "Generalized form of the direct and adjoint radiative transfer equations." Journal of Quantitative Spectroscopy & Radiative Transfer 104: 155-170.

Schuh, W.-D., H. Alkhatib, et al. (2006). Numerical Challenges for GOCE Data Analysis. Status Seminar Geotechnologien, Bonn.

Schuh, W.-D., C. Boxhammer, et al. (2006). Correlations, variances, covariances — from GOCE signals to GOCE products. 3rd Int. GOCE user workshop, ESA.

Schuh, W.-D. and B. Kargoll (2004). The numerical treatment of the downward continuation problem for the gravitypotential in: Lecture Notes in Earth Sciences 127. p. 22. V. Hotine-Marussi-Symposium, Springer.

Sehili, A.-M., R. Wolke, et al. (2005). "Comparison of different model approaches for the simulation of multiphase processes." Atm. Env. 39: 4403.

Sehili, A.-M., R. Wolke., et al. (2007). Cloud chemistry modeling: A comparison between parcel and 3-D simulations. Air Pollution Modelling and its Applications XVII, Springer, New York.

Sheode, N., B.-M. Sinnhuber, et al. (2006). "Towards a climatology of stratospheric bromine monoxide from SCIAMACHY limb observations." Atmos. Chem. Phys. Discuss. 6: 6431-6466.

Siemes, C. (2008). Digital Filtering Algorithms for Decorrelation within Large Least Square Problems. Bonn, Universität Bonn. Doktorarbeit.

Sierk, B., A. Richter, et al. (2006). "Retrieval and Monitoring of Atmospheric Trace Gas Concentrations in Nadir and Limb Geometry Using the Space-Borne SCIAMACHY instrument." Environmental Monitoring and Assessment 120: 65-77.

Stein, C. (2005). The effect of rheological parameters on plate-like features in a self-consistent mantle convection model. Münster, UNiversität Münster. Doktorarbeit.

Stein, C. and U. Hansen (2007). "Plate motions and the viscosity structure of the Earth's mantle - Insights from numerical modelling." Earth Planet. Sci. Lett. submitted.

Stein, C. and U. Hansen (2008). "Arrhenius rheology vs. Frank-Kamenetskii rheology: Implications for mantle dynamics." submitted.

Stein, C. and U. Hansen (2008). "Plate motions and the viscosity structure of the Earth's mantle - Insights from numerical modelling." Earth Planet. Sci. Lett. 272: 29-40.

Stein, C., J. Schmalzl, et al. (2004). "The effect of rheological parameters on the plate behaviour in a self-consistent model of mantle convection." Phys. Planet. Inter. 142: 225.

Stellmach, S. (2005). Konvektion und Magnetfelderzeugung in einer rotierenden Flüssigkeitsschicht. Münster, Universität Münster. Doktorarbeit.

Stellmach, S. (2007). "An Efficient Spectral Method for the Simulations of Dynamos in Cartesian Geometry and its Implementation on Massively Parallel Computers." Geochem. Geophys. Geosyst. in press.

Stellmach, S. and U. Hansen (2004). "Small Ekman number dynamo calculations in Cartesian geometry." Phys. Rev. E 69: 056312.

Stemmer, K. (2006). Eine neue Methode zur Simulation von Konvektion mit variabler Viskosität in einer Kugelschale: Anwendungen auf den Erdmantel. Münster, Universität Münster. Doktorarbeit.

Stemmer, K., H. Harder, et al. (2006). "The effect of strongly temperature- and pressure-dependent viscosity on mantle convection in a spherical shell." Phys. Earth Planet. Int. 157: 223.

Wagner, T., J. P. Burrows, et al. (2006). "Comparison of Box-Air-Mass-Factors and Radiances for Multiple-Axis Differential Optical Absorption Spectroscopy (MAX-DOAS) Geometries calculated from different UV/visible Radiative Transfer Models." Atmos. Chem. Phys. Discuss. 6: 9823-9876.

Walzer, U. (2008). Geodynamik und Lebenentstehung und -erhaltung. Lebensentstehung und Lebenserhaltung. P. Kunzmann and N. Knoepffler. Freiburg, Alber-Verlag Freiburg i.Br. accepted.

Walzer, U. and R. Hendel (2008). Predictability of Rayleigh-number and continental-growth evolution of a dynamic model of the Earth's mantle. High Perf. Comp. Sci. Engng. '08, pp. 585-600, Springer.

Walzer, U., R. Hendel, et al. (2004). Generation of plate-tectonic behavior and a new viscosity profile of the Earth's mantle. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Walzer, U., R. Hendel, et al. (2004). "Viscosity stratification and a 3D compressible spherical shell model of mantle evolution." High Perf. Comp. Sci. Eng. 03: 27-67.

Walzer, U., R. Hendel, et al. (2004). "The effects of a variation of the radial viscosity profile on mantle evolution." Tectonophysics 384: 55-90.

Walzer, U., R. Hendel, et al. (2005). Toward a thermochemical model of the evolution of the Earth's mantle. High Performance Computing in Science and Engineering ’04, Springer Verlag, Berlin Heidelberg New York.

Walzer, U., R. Hendel, et al. (2006). Plateness of the oceanic lithosphere and the Thermal evolution of the Earth's mantle. High Performance Computing in Science and Engineering '05, pp 289-304, Springer-Verlag, Berlin Heidelberg New York.

Walzer, U., R. Hendel, et al. (2007). "Continental Growth and Thermal Convection in the Earth's Mantle." High Perf. Comp. Sci. Eng. '06: 473-497.

Walzer, U., R. Hendel, et al. (2008). "Mantle convection and evolution with growing continents." J. Geophys. Res. 113: B09405.

Walzer, U., R. Hendel, et al. (2008). Whole-Mantle Convection, Continent Generation, and Preservation of Geochemical Heterogeneity. High Performance Computing in Science and Engineering '07 pp. 603-645.

Walzer, U., R. Hendel, et al. (2008). Andean orogeny and plate generation. High Perf. Comp. Sci. Engng. '08, pp. 559-583, Springer.

Wicht, J., S. Stellmach, et al. (2007). Dynamo simulations. Proceedings des DFG Schwerpunktes Geomagnetische Variationen, accepted, Springer.

Wolke, R., O. Hellmuth, et al. (2004). The chemistry-transport modeling system LM-MUSCAT: Description and CityDelta applications. Air Pollution Modeling and Its Applications XVI, Kluver Academic / Plenum Publishers, New York.

Wolke, R., O. Knoth, et al. (2004). The parallel model system LM-MUSCAT for chemistry-transport simulations: Coupling scheme, parallelization and application. Parallel computing: Software technology, algorithms, architectures and applications, Elsevier.

Wunder, B., S. Jahn, et al. (2007). "Ab initio molecular dynamics study of Li speciation in aqueous fluid at high pressure." Geochimica et Cosmochimica Acta 71: A1128.

Informatik (70)

Becker, C. (2007). Strategien und Methoden zur Ausnutzung der High-Performance-Ressourcen moderner Rechnerarchitekturen fuer Finite-Element-Simulationen und ihre Realisierung in FEAST (Finite Element Analysis & Solution Tools). Dortmund, Universität Dortmund. Doktorarbeit.

Becker, C., S. Buijssen, et al. (2006). FEAST: Development of HPC Technologies for FEM Applications. NIC Symposium 2006, Jülich, NIC.

Bungartz, H.-J. and M. Griebel (2004). "Sparse grids." Acta Numerica 13: 1-123.

Dachsel, H., M. Hofmann, et al. (2007). Library Support for Parallel Sorting in Scientific Computations. Euro-Par 2007, Parallel Processing, 13th International Euro-Par Conference (LNCS, Bd. 4641), Springer, S. 695-704, ISBN 978-3-540-74465-8.

Dümmler, J., T. Rauber, et al. (2006). Combining Measures for Temporal and Spatial Locality. Proc. of the International Workshop on Parallel and Distributed Computing in Engineering (PDCE 2006) (LNCS, Bd. 4331), Springer, ISBN 978-3-540-49860-5.

Dümmler, J., T. Rauber, et al. (2007). Communicating Multiprocessor-Tasks. 20th International Workshop on Languages and Compilers for Parallel Computing (LCPC 2007), Springer.

Dümmler, J., T. Rauber, et al. (2008). A Transformation Framework for Communicating Multiprocessor-Tasks. 16th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP 2008), ISBN 978-0-7695-3089-5, IEEE Computer Society.

Dümmler, J., T. Rauber, et al. (2009). Scalable Computing with Parallel Tasks. Proc. of the 2nd IEEE Workshop on Many-Task Computing on Grids and Supercomputers (MTAGS '09), ISBN 978-1-60558-714-1.

Feuersänger, C. (2005). Dünngitterverfahren für hochdimensionale elliptische partielle Differentialgleichungen. Diplomarbeit, Advisor M. Griebel. Institut für Numerische Simulation. Bonn, Universität Bonn. Diplom.

Göddeke, D., C. Becker, et al. (2006). Integrating GPUs as fast co-processors into the existing parallel FE package FEAST. Frontiers in Simulation - Simulationstechnique 19th Symposium ISBN 3-936150-49-4, Hannover, SCS Publishing House e.V.

Griebel, M. (2005). Sparse grids and related approximation schemes for higher dimensional problems. In Proceedings of the conference on Foundations of Computational Mathematics (FoCM05), Santander, Spain.

Griebel, M. and J. Hamaekers (2006). A wavelet based sparse grid method for the electronic Schrödinger equation. Proceedings of the International Congress of Mathematicians, volume III, pages 1473-1506, Madrid, Spain, European Mathematical Society.

Griebel, M. and J. Hamaekers (2007). "Sparse grids for the Schrödinger equation." Mathematical Modelling and Numerical Analysis 41: 215.

Griebel, M., B. Metsch, et al. (2006). "Coarse grid classification: A parallel coarsening scheme for algebraic multigrid methods." Numerical Linear Algebra with Applications 13: 193.

Griebel, M., B. Metsch, et al. (2007). "Coarse grid classification-Part II: Automatic coarse grid agglomeration for parallel AMG." preprint Bonn.

Griebel, M., B. Metsch, et al. (2008). Classification: AMG on Parallel Computers. NIC Symposium 2008, Jülich, NIC Series.

Hartmann, O., M. Kühnemann, et al. (2006). Adaptive Selection of Communication Methods to Optimize Collective MPI Operations. Proc. of the 12th Workshop on Compilers for Parallel Computers (CPC2006), ISBN 54-609-8459-1.

Hartmann, O., M. Kühnemann, et al. (2008). An Adaptive Extension Library for Improving Collective Communication Operations. Concurrency and Computation: Practice and Experience, Wiley Interscience.

Hering, K., G. Rünger, et al. (2005). "Modular Construction of Model Partitioning Processes for Parallel Logic Simulation." Special Issue: Int. Journ. of Computational Science and Engineering ISSN 1742-7185.

Hippold, J. and G. Rünger (2006). Performance Analysis for Parallel Adaptive FEM on SMP Clusters. Applied Parallel Computing - State of the Art in Scientific Computing: Proc. of PARA'04 Workshop on State-of-the-art in Scientific Computing (LNCS, Bd. 3732), Springer; ISBN 3-540-29067-2.

Hippold, J. and G. Rünger (2006). "Task Pool Teams: A Hybrid Programming Environment for Irregular Algorithms on SMP Clusters." Concurrency and Computation: Practice and Experience 18: 1575.

Hoffmann, K. H., M. Hofmann, et al. (2006). Task Pool Teams Implementation of the Master Equation Approach for Random Sierpinski Carpets. Euro-Par 2006, Parallel Processing, 12th International Euro-Par Conference (LNCS, Bd. 4128), Springer, ISBN 978-3-540-49860-5.

Hoffmann, R. (2009). Effiziente taskbasierte Programmausführung irregulärer Applikationen mit adaptiver Lastbalancierung, Universität Bayreuth. PhD thesis.

Hoffmann, R., M. Korch, et al. (2004). Using Hardware Operations to Reduce the Synchronization Overhead of Task Pools. ICPP’04, Montreal, Quebec, Canada.

Hoffmann, R., M.Korch, et al. (2004). Performance Evaluation of Task Pools Based on Hardware Synchronization. SC’2004, Pittsburgh, PA, USA.

Hoffmann, R., A. Prell, et al. (2010). Dynamic task scheduling and load balancing on cell processors. The 18th Euromicro International Conference on Parallel, Distributed and Network-Based Computing, Pisa.

Hoffmann, R. and T. Rauber (2007). Profiling of Task-based Applications on Shared Memory Machines: Scalability and Bottlenecks. Euro-Par 2007, Rennes, France.

Hoffmann, R. and T. Rauber (2008). Fine-grained task scheduling using adaptive data structures. Euro-Par 2008, Las Palmas de Gran Canaria, Canary Islands, Spain.

Hofmann, M. and G. Rünger (2008). Towards an Adaptive Task Pool Implementation. IPDPS-08 Workshop on Parallel and Distributed Scientific and Engineering Computing (PDSEC-08), IEEE Computer Society.

Hofmann, M. and G. Rünger (2009). Fine-grained Data Distribution Operations for Particle Codes. Recent Advances in Parallel Virtual Machine and Message Passing Interface, Springer: Lecture Notes in Computer Science.

Hunold, S. (2009). Evaluation der Leistungsfähigkeit von gemischt-parallelen Programmen in homogenen und heterogenen Umgebungen unter Berücksichtigung effizienter Schedulingstrategien, Bayreuth. Doktorarbeit.

Hunold, S. and T. Rauber (2005). Automatic Tuning of PDGEMM Towards Optimal Performance. Proceedings of Euro-Par 2005, Lisbon, Portugal.

Hunold, S., T. Rauber, et al. (2006). Design and Evaluation of a Parallel Data Redistribution Component for TGrid. Proceedings of ISPA’2006, Sorrento, Italy.

Hunold, S., T. Rauber, et al. (2006). TGrid - Grid Runtime Support for Hierarchically Structured Task-parallel Programs. Fifth International Workshop on Algorithms, Models and Tools for Parallel Computing on Heterogeneous Networks.

Hunold, S., T. Rauber, et al. (2007). Dynamic Scheduling of Multi-Processor Tasks on Clusters of Clusters. Heteropar'07, Austin, Texas, USA.

Hunold, S., T. Rauber, et al. (2008). Scheduling Dynamic Workflows onto Clusters of Clusters using Postponing. WSES 08, Lyon, France.

Hunold, S., T. Rauber, et al. (2004). Hierarchical Matrix-Matrix Multiplication based on Multiprocessor Tasks. International Conference on Computational Science, Springer.

Hunold, S., T. Rauber, et al. (2004). Multilevel Hierarchical Matrix Multiplication on Clusters. ICS'2004, Saint-Malo, France.

Hunold, S., T. Rauber, et al. (2008). "Combining Building Blocks for Parallel Multi-level Matrix Multiplication." Parallel Computing 34: 411-426.

Korch, M. (2006). Effiziente Implementierung eingebetteter Runge-Kutta-Verfahren durch Ausnutzung der Speicherzugriffslokalität. Bayreuth, Universität Bayreuth. Doktorarbeit.

Korch, M. and T. Rauber (2004). Comparison of parallel implementations of RK solvers: Message passing vs. threads. Advances in Parallel Computing 13, Amsterdam.

Korch, M. and T. Rauber (2004). Simulation-based analysis of parallel Runge-Kutta solvers. PARA’04 Workshop, Lyngby, Dänemark.

Korch, M. and T. Rauber (2006). Applicability of Load Balancing Strategies to Data-Parallel Embedded Runge-Kutta Integrators. Proceedings of Euro-Par 2006, Dresden, Germany.

Korch, M. and T. Rauber (2006). "Optimizing Locality and Scalability of Embedded Runge-Kutta Solvers Using Block-Based Pipelining." Journ. of Parallel and Distributed Computing 66: 444.

Korch, M. and T. Rauber (2007). Locality Optimized Shared-Memory Implementations of Iterated Runge-Kutta Methods. Euro-Par 2007, Rennes, France.

Korch, M. and T. Rauber (2009). Parallel implementation of Runge-Kutta integrators with low storage requirements. Euro-Par 2009, Delft.

Korch, M. and T. Rauber (2009). Scalability of time- and space-efficient embedded Runge-Kutta solvers for distributed address space. ICPP 2009, Wien.

Korch, M. and T. Rauber (2010). Storage space reduction for the solution of systems of ordinary differential equations by pipelining and overlapping of vectors. IPDPS-2010 Workshop on Parallel and Distributed Scientific and Engineering Computing, Atlanta, USA.

Koziar, C., R. Reilein, et al. (2005). "Load Imbalance Aspects in Atmosphere Simulations." Special Issue: Int. Journ. of Computational Science and Engineering (2005) ISSN 1742-7185.

Kühnemann, M. (2007). Analyse, Laufzeitmodellierung und Optimierung paralleler MPI Programme. Chemnitz, TU Chemnitz. Doktorarbeit.

Kühnemann, M., T. Rauber, et al. (2005). "Optimizing MPI Collective Communication by Orthogonal Structures." Cluster Computing - The Journ. of Networks, Software Tools and Applications Special Issue on Cluster Computing in Science and Engineering, 2005.

Kuzmin, D., O. Mierka, et al. (2007). "On the implementation of the k-epsilon turbulence model in incompressible flow solvers based on a finite element discretization." IJCSM submitted.

Metsch, B. (2004). Ein paralleles graphenbasiertes algebraisches Mehrgitterverfahren. Bonn, Universität Bonn. Diplomarbeit.

Pereira, F. B., J. M. C.Marques, et al. (2008). Designing Efficient Evolutionary Algorithms for Cluster Optimization: A Study on Locality Advances in Metaheuristics for Hard Optimization Advances in Metaheuristics for Hard Optimization, Springer Natural Computing Series. P. Siarry and Z. Michalewicz, Springer Natural Computing Series p. 223-250.

Radons, G., G. Rünger, et al. (2006). Parallel Algorithms for the Determination of Lyapunov Characteristics of Large Nonlinear Dynamical Systems. Applied Parallel Computing - State of the Art in Scientific Computing: Proc. of PARA'04 Workshop on State-of-the-art in Scientific Computing (LNCS, Bd. 3732), Springer; ISBN 3-540-29067-2.

Rauber, T., R. Reilein, et al. (2004). "Group-SPMD programming with orthogonal processor groups." Concurrency and Computation: Practice and Experience 16: 173-195.

Rauber, T. and G. Rünger (2004). Execution Schemes for Parallel Adams Methods. Euro-Par 2004, Pisa, Italy.

Rauber, T. and G. Rünger (2004). "Improving Locality for ODE Solvers by Program Transformations." Scientific Programming 12: 133-154.

Rauber, T. and G. Rünger (2004). Parallel Implementation Strategies for Algorithms from Scientific Computing. ComputationalMaterials Science, From Basic Principles to Material Properties. M. E. Dne, A.; Hergert,W., Springer: 261.

Rauber, T. and G. Rünger (2004). "Program-Based Locality Measures for Scientific Computing." International Journal of Foundations of Computer Science 15: 535-554.

Rauber, T. and G. Rünger (2005). Exploiting Multiple Levels of Parallelism in Scientific Computing. IFIP TC5 Workshop on HPCSE, World Computer Congress, Toulouse, France, Springer.

Rauber, T. and G. Rünger (2005). "Tlib - A library to support programming with hierarchical multiprocessor tasks." Journal of Parallel and Distributed Computing 65: 347-360.

Rauber, T. and G. Rünger (2006). "A Data Re-Distribution Library for Multi-Processor Task Programming." International Journal of Foundations of Computer Science 17: 251.

Rauber, T. and G. Rünger (2007). "Mixed Task and Data Parallel Executions in General Linear Methods." Scientific Programming (IOS Press, ISSN 1058-9244) 15, Nr. 3: 137.

Rauber, T. and G. Rünger (2007). "Mixed Task and Data Parallel Executions in General Linear Methods." Scientific Programming 15: 137-155.

Reilein-Ruß, R. (2005). Eine komponentenbasierte Realisierung der TwoL-Spracharchitektur. Fakultät für Informatik. Chemnitz, TU Chemnitz. Doktorarbeit.

Rünger, G. (2006). Parallel Programming Models for Irregular Algorithms. Parallel Algorithms and Cluster Computing - Implementations, Algorithms and Applications (LNCSE, Bd. 51). K. H. Hoffmann and A. Meyer, Springer; ISSN 1439-7358.

Rünger, G. and M. Schwind (2008). Cache optimization for mixed regular and irregular computations. Workshop on Performance Optimization for High-Level Languages and Libraries (POHLL-08), IEEE Computer Society.

Schneider, J. J. (2004). Searching for Backbones. AIP Conf. Proc.

Turek, S., C. Becker, et al. (2006). "Hardware-oriented Numerics and concepts for PDE software." Future Generation System 22: 217-238.

Klima (67)

Alkhatib, H. (2007). On Monte Carlo methods with applications to the current satellite gravity missions. Bonn, Universität Bonn. Doktorarbeit.

Alkhatib, H. and W.-D. Schuh (2007). "Integration of the Monte Carlo covariance estimation strategy into tailored solution procedures for large-scaled least squares problems." J. Geodesy 70: 53-66.

Boxhammer, C. (2006). Effiziente numerische Verfahren zur sphärischen harmonischen Analyse von Satellitendaten. Bonn, Universität Bonn. Doktorarbeit.

Boxhammer, C. and W.-D. Schuh (2006). GOCE gravity field modeling: computational aspects - free kite numbering scheme. Observation of the Earth System from Space. C. R. R. Rummel, M. Rothacher, G. Boedecker, U. Schreiber, J. Flury. Berlin - Heidelberg, Springer: pp. 209-224.

Breuer, M. (2005). The role of inertia in convectively driven flows - a numerical investigation. Münster, Universität Münster. Doktorarbeit.

Breuer, M., S. Wesseling, et al. (2004). "Effect of inertia in Rayleigh Benard Convection." Phys. Rev. E 69: 026302.

Brockmann, J. M. (2008). Effiziente Varianzkomponenentenschätzung über iterative Techniken bei der GOCE--Daten Prozessierung. Bonn, Universität Bonn. Diplomarbeit.

Brockmann, J. M. and W.-D. Schuh (2008). Fast variance component estimation in GOCE data processing. Gravity, Geoid and Earth Observation, accepted, Springer.

Doicu, A., S. Hilgers, et al. (2007). "Information operator approach and iterative regularization methods for atmospheric remote sensing." Journal of Quantitative Spectroscopy and Radiative Transfer 103(2): 340-350.

Friess, U., P. S. Monks, et al. (2006). "MAX-DOAS O4 measurements: A new technique to derive information on atmospheric aerosols - Retrieval of aerosol properties." J. Geophys. Res. 111: D14203.

Gottschaldt, K.-D. (2004). Vermischung in 3D sphärischen Konvektionsmodellen des Erdmantels. Jena, Friedrich-Schiller-Universität. PhD.

Gottschaldt, K.-D., U. Walzer, et al. (2006). "Stirring in 3-d spherical models of convection in the Earth’s mantle." Philosophical Magazine 86: 3175-3204.

Harder, H. and U. Hansen (2005). "A finite volume solution method for thermal convection and dynamo problems in spherical shells." Geophys. J. Int. 161: 522.

Heinold, B., J. Helmert, et al. (2007). "Regional modeling of Saharan dust events using LM-MUSCAT: Model description and case studies." Journal of Geophysical Research (D) 112: D11204.

Heinold, B., A. Tilgner, et al. (2005). "Meteorological characterisation of the FEBUKO hill cap cloud experiments, Part mII: Tracer experiments and flow characterisation with nested non-hydrostatic atmospheric models." Atm. Env. 39: 4195.

Hendrick, F., M. V. Roozendael, et al. (2006). "Intercomparison exercise between different radiative transfer models used for the interpretation of ground-based zenith-sky and multi-axis DOAS observations." Atmos. Chem. Phys. 6: 93-108.

Huttig, C. and K. Stemmer (2008). "Finite volume discretization for dynamic viscosities on Voronoi grids, Physics of the Earth and Planetary Interiors." in press.

Huttig, C. and K. Stemmer (2008). "The spiral grid: A new approach to discretize the sphere and its application to mantle convection." Geochem. Geophys. Geosyst. 9: 13.

Jacobi, H.-W., L. Kaleschke, et al. (2006). "Observation of a fast ozone loss in the marginal ice zone of the Arctic Ocean,." J. Geophys. Res. 111: D15309.

Jahn, S. (2008). Fluids under extreme conditions of pressure and temperature and their role in geological processes. NIC Symposium 2008, Jülich, John von Neumann Institute for Computing.

Jahn, S. and B. Wunder (2009). "Lithium speciation in aqueous fluids at high P and T studied by ab initio molecular dynamics and consequences for Li-isotope fractionation between minerals and fluids." Geochimica et Cosmochimica Acta 73: 5428.

King, E. M., S. Stellmach, et al. (2009). "Boundary layer control of rotating convection systems." Nature 457: 301.

Koch, K.-R., J. Kusche, et al. (2004). "Parallel Gibbs Sampling for Computing and Propagating Large Covariance Matrices." Zeitschrift für Vermessungswesen 129: 32-427.

Lieber, M. and R. Wolke (2008). "Optimizing the coupling in a parallel air quality model system." Environmental Modelling & Software 23: 235.

Loddoch, A. (2007). Temporal variations in the convective style of planetary mantles. Münster, Universität Münster. Doktorarbeit.

Loddoch, A. and J. Schmalzl (2006). "Variable quality compression of fluid dynamical data sets using a 3-D DCT technique." Geochem. Geophys. Geosyst. 7: Q01003.

Loddoch, A., C. Stein, et al. (2006). "Thermal variations in the convective style of planetary mantles." Earth Planet. Sci. Lett. 251: 79.

Pail, R., B. Metzler, et al. (2007). "GOCE-Schwerefeldprozessierung: Software-Architektur und Simulationsergebnisse." Zeitschrift für Vermessungswesen 132: 16.

Pail, R., W.-D. Schuh, et al. (2005). GOCE Gravity Field Processing. Gravity, Geoid and Space Missions (Lecture Notes in Earth Sciences 129). L. B. C. Jekeli, J. Fernandes. Berlin - Heidelberg - New York, Springer.

Przybilla, J. (2007). Akustische und elastische Energietransfertheorie in kontinuierlichen Zufallsmedien und ihre Anwendugn in der Seismologie. Fakultät für Physik und Geowissenschaften. Leipzig, Universität Leipzig. Doktorarbeit.

Przybilla, J. and M. Korn (2007). "Monte Carlo simulations of radiative transfer in continuous elastic random media - Three-component envelopes and numerical validation." Geophys. J. In. submitted.

Przybilla, J., M. Korn, et al. (2006). "Radiative transfer of elastic waves versus finite difference simulations in two-dimensional random media." J. geophys. Res. 111: B04305.

Rozanov, V. V. and A. V. Rozanov (2007). "Generalized form of the direct and adjoint radiative transfer equations." Journal of Quantitative Spectroscopy & Radiative Transfer 104: 155-170.

Schuh, W.-D., H. Alkhatib, et al. (2006). Numerical Challenges for GOCE Data Analysis. Status Seminar Geotechnologien, Bonn.

Schuh, W.-D., C. Boxhammer, et al. (2006). Correlations, variances, covariances — from GOCE signals to GOCE products. 3rd Int. GOCE user workshop, ESA.

Schuh, W.-D. and B. Kargoll (2004). The numerical treatment of the downward continuation problem for the gravitypotential in: Lecture Notes in Earth Sciences 127. p. 22. V. Hotine-Marussi-Symposium, Springer.

Sehili, A.-M., R. Wolke, et al. (2005). "Comparison of different model approaches for the simulation of multiphase processes." Atm. Env. 39: 4403.

Sehili, A.-M., R. Wolke., et al. (2007). Cloud chemistry modeling: A comparison between parcel and 3-D simulations. Air Pollution Modelling and its Applications XVII, Springer, New York.

Sheode, N., B.-M. Sinnhuber, et al. (2006). "Towards a climatology of stratospheric bromine monoxide from SCIAMACHY limb observations." Atmos. Chem. Phys. Discuss. 6: 6431-6466.

Siemes, C. (2008). Digital Filtering Algorithms for Decorrelation within Large Least Square Problems. Bonn, Universität Bonn. Doktorarbeit.

Sierk, B., A. Richter, et al. (2006). "Retrieval and Monitoring of Atmospheric Trace Gas Concentrations in Nadir and Limb Geometry Using the Space-Borne SCIAMACHY instrument." Environmental Monitoring and Assessment 120: 65-77.

Stein, C. (2005). The effect of rheological parameters on plate-like features in a self-consistent mantle convection model. Münster, UNiversität Münster. Doktorarbeit.

Stein, C. and U. Hansen (2007). "Plate motions and the viscosity structure of the Earth's mantle - Insights from numerical modelling." Earth Planet. Sci. Lett. submitted.

Stein, C. and U. Hansen (2008). "Arrhenius rheology vs. Frank-Kamenetskii rheology: Implications for mantle dynamics." submitted.

Stein, C. and U. Hansen (2008). "Plate motions and the viscosity structure of the Earth's mantle - Insights from numerical modelling." Earth Planet. Sci. Lett. 272: 29-40.

Stein, C., J. Schmalzl, et al. (2004). "The effect of rheological parameters on the plate behaviour in a self-consistent model of mantle convection." Phys. Planet. Inter. 142: 225.

Stellmach, S. (2005). Konvektion und Magnetfelderzeugung in einer rotierenden Flüssigkeitsschicht. Münster, Universität Münster. Doktorarbeit.

Stellmach, S. (2007). "An Efficient Spectral Method for the Simulations of Dynamos in Cartesian Geometry and its Implementation on Massively Parallel Computers." Geochem. Geophys. Geosyst. in press.

Stellmach, S. and U. Hansen (2004). "Small Ekman number dynamo calculations in Cartesian geometry." Phys. Rev. E 69: 056312.

Stemmer, K. (2006). Eine neue Methode zur Simulation von Konvektion mit variabler Viskosität in einer Kugelschale: Anwendungen auf den Erdmantel. Münster, Universität Münster. Doktorarbeit.

Stemmer, K., H. Harder, et al. (2006). "The effect of strongly temperature- and pressure-dependent viscosity on mantle convection in a spherical shell." Phys. Earth Planet. Int. 157: 223.

Wagner, T., J. P. Burrows, et al. (2006). "Comparison of Box-Air-Mass-Factors and Radiances for Multiple-Axis Differential Optical Absorption Spectroscopy (MAX-DOAS) Geometries calculated from different UV/visible Radiative Transfer Models." Atmos. Chem. Phys. Discuss. 6: 9823-9876.

Walzer, U. (2008). Geodynamik und Lebenentstehung und -erhaltung. Lebensentstehung und Lebenserhaltung. P. Kunzmann and N. Knoepffler. Freiburg, Alber-Verlag Freiburg i.Br. accepted.

Walzer, U. and R. Hendel (2008). Predictability of Rayleigh-number and continental-growth evolution of a dynamic model of the Earth's mantle. High Perf. Comp. Sci. Engng. '08, pp. 585-600, Springer.

Walzer, U., R. Hendel, et al. (2004). Generation of plate-tectonic behavior and a new viscosity profile of the Earth's mantle. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Walzer, U., R. Hendel, et al. (2004). "Viscosity stratification and a 3D compressible spherical shell model of mantle evolution." High Perf. Comp. Sci. Eng. 03: 27-67.

Walzer, U., R. Hendel, et al. (2004). "The effects of a variation of the radial viscosity profile on mantle evolution." Tectonophysics 384: 55-90.

Walzer, U., R. Hendel, et al. (2005). Toward a thermochemical model of the evolution of the Earth's mantle. High Performance Computing in Science and Engineering ’04, Springer Verlag, Berlin Heidelberg New York.

Walzer, U., R. Hendel, et al. (2006). Plateness of the oceanic lithosphere and the Thermal evolution of the Earth's mantle. High Performance Computing in Science and Engineering '05, pp 289-304, Springer-Verlag, Berlin Heidelberg New York.

Walzer, U., R. Hendel, et al. (2007). "Continental Growth and Thermal Convection in the Earth's Mantle." High Perf. Comp. Sci. Eng. '06: 473-497.

Walzer, U., R. Hendel, et al. (2008). "Mantle convection and evolution with growing continents." J. Geophys. Res. 113: B09405.

Walzer, U., R. Hendel, et al. (2008). Whole-Mantle Convection, Continent Generation, and Preservation of Geochemical Heterogeneity. High Performance Computing in Science and Engineering '07 pp. 603-645.

Walzer, U., R. Hendel, et al. (2008). Andean orogeny and plate generation. High Perf. Comp. Sci. Engng. '08, pp. 559-583, Springer.

Wicht, J., S. Stellmach, et al. (2007). Dynamo simulations. Proceedings des DFG Schwerpunktes Geomagnetische Variationen, accepted, Springer.

Wolke, R., O. Hellmuth, et al. (2004). The chemistry-transport modeling system LM-MUSCAT: Description and CityDelta applications. Air Pollution Modeling and Its Applications XVI, Kluver Academic / Plenum Publishers, New York.

Wolke, R., O. Knoth, et al. (2004). The parallel model system LM-MUSCAT for chemistry-transport simulations: Coupling scheme, parallelization and application. Parallel computing: Software technology, algorithms, architectures and applications, Elsevier.

Wunder, B., S. Jahn, et al. (2007). "Ab initio molecular dynamics study of Li speciation in aqueous fluid at high pressure." Geochimica et Cosmochimica Acta 71: A1128.

Kondensierte Materie (361)

Abendschein, A. and F. F. Assaad (2006). "Temperature dependence of spectral functions for the one-dimensional Hubbard model: comparison with experiments." Phys. Rev. B 72: 165119.

Aits, C., U. Löw, et al. (2006). "Structural and magnetic instabilities of two-dimensional quantum spin systems." Phys. Rev. B 74: 014425.

Albuquerque, A. F. and e. al. (2007). "The ALPS project release 1.3: open source software for strongly correlated systems " Journal of Magnetism and Magnetic Materials 310: 1187.

Alet, F., S. Wessel, et al. (2005). "Generalized directed loop method for quantum Monte Carlo simulations." Phys. Rev. E 71: 036706.

Aliaga, H. (2005). "Time-dependent local Green’s operator and its applications to manganites." Phys. Rev. B 71: 184404.

Anders, F. B. (2005). "Renormalization Group Approach to Spectral Properties of the Two-Channel Anderson Impurity Model." Phys. Rev. B 71: 121101(R).

Anders, F. B. (2008). "Dynamics of large anisotropic spin in a sub-ohmic dissipative environment close to a quantum-phase transition." New J. Phys. 10: 115007.

Anders, F. B. (2008). "A Numerical Renormalization Group approach to Non-Equilibrium Green's Functions for Quantum Impurity Models." J. Phys.: Condens. Matter 20: 195216.

Anders, F. B. (2008). "On steady-state currents through nano-devices: a scattering-states numerical renormalization group approach to open quantum systems." Phys. Rev. Lett. 111: 066804.

Anders, F. B., R. Bulla, et al. (2007). "Equilibrium and non-equilibrium dynamics of the sub-ohmic spin-boson model." Phys. Rev. Lett. 98: 210402.

Anders, F. B. and G. Czycholl (2005). "On the X-ray-Problem in the Falicov-Kimball model in large dimensions at half-filling." Phys. Rev. B 71: 125101.

Anders, F. B., E. Lebanon, et al. (2004). "Coulomb blockade and Non-Fermi-liquid behavior in quantum dots." Phys. Rev. B 70: 201306(R).

Anders, F. B., D. E. Logan, et al. (2008). "Zero-bias conductance in carbon nanotube quantum dots." Phys. Rev. Lett. 100: 086809.

Anders, F. B. and T. Pruschke (2006). "Can the competition between crystal field and Kondo effect cause non-Fermi liquid like behavior?" Phys. Rev. Lett. 96: 086404.

Anders, F. B. and A. Schiller (2005). "Real-time dynamics in Quantum Impurity Systems: A Time-dependent Numerical Renormalization Group Approach " Phys. Rev. Lett. 95: 196801.

Anders, F. B. and A. Schiller (2006). "Spin precession and real-time dynamics in the Kondo model: Time-dependent numerical renormalization-group study " Phys. Rev. B 74: 245113.

Anisimov, V. I., D. E. Kondakov, et al. (2005). "Full orbital calculation scheme for materials with strongly correlated electrons." Phys.Rev. B 71: 125119.

Assaad, F. F. (2004). "Coherence scale of the two-dimensional Kondo Lattice model." Phys. Rev. B 70: 020402.

Assaad, F. F. (2005). "Phase diagram of the half-filled two-dimensional SU(N) Hubbard-Heisenberg model: a quantum Monte Carlo study." Phys. Rev. B 71: 075103.

Assaad, F. F. (2008). "Spin, charge and single-particle spectral functions of the one-dimensional quarter filled Holstein model." Phys. Rev. B 78: 155124

Assaad, F. F., P. Corboz, et al. (2006). Gaussian Monte Carlo methods with Symmetry projections. AIP Conference proccedings, Vol. 816, p. 204.

Assaad, F. F. and T. Lang (2007). "Diagrammatic Determinantal methods: projective schemes and applications to the Hubbard-Holstein model." Phys. Rev. B 76: 035116.

Assaad, F. F., P. Werner, et al. (2005). "Symmetry projection schemes for Gaussian Monte Carlo methods." Phys. Rev. B 72: 224518.

Backes, D., C. Schieback, et al. (2007). "Transverse domain walls in nanoconstrictions." Appl. Phys. Lett. 91: 112502.

Baumann, F., M. Henkel, et al. (2005). "Ageing without detailed balance in the bosonic contact and pair-contact processes: exact results." J. Phys. A 38: 6623.

Beach, K. S. D. and F. F. Assaad (2008). "Coherence and metamagnetism in the two-dimensional Kondo lattice model." Phys. Rev. B 77: 205123.

Beach, K. S. D. and F. F. Assaad (2010). "Bilayer Hubbard model for 3He: a cluster dynamical mean-field calculation." Phys. Rev. Lett. submitted: http://xxx.lanl.gov/abs/0905.1127.

Beek, D. v. d., H. Reich, et al. (2006). "The isotropic-nematic interface and wetting in suspensions of colloidal platelets." Phys. Rev. Lett. 97: 087801.

Bercx, M., T. C. Lang, et al. (2009). "Magnetic field induced semimetal-to-canted-antiferromagnet transition on the honeycomb lattice." Phys. Rev. B 80: 045412.

Bergé, L. and S. Skupin (2005). "elf-channeling of ultrashort laser pulses in materials with anomalous dispersion." Phys. Rev. E 71: 065601.

Bergé, L., S. Skupin, et al. (2005). "Supercontinuum emission and enhanced self-guiding of infrared femtosecond filaments sustained by third harmonic generation in air." Phys. Rev. E 71: 016602.

Billes, W. (2007). Neue Methoden zur molekularen Simulation von Adsorption und Proteinstrukturen. Wien, BOKU – Universität für Bodenkultur. Doktorarbeit.

Billes, W., R. Tscheliessnig, et al. (2005). "Molecular simulation of the adsorption from dilute solutions." Acta Biochimica Polonica 52: 685.

Billes, W., R. Tscheliessnig, et al. (2007). "Adsorption isotherms for dilute solutions via the Mean Force method." Mol. Sim. 33: 655.

Binder, K., S. K. Das, et al. (2007). "Molecular dynamics simulations of surface-controlled phase separation of binary fluid mixtures confined in slit pores." Eur. Phys. J. Special Topics 141: 1.

Binder, K., D. Herzbach, et al. (2007). Computer Simulations of Undercooled Fluids and Glasses. Springer Series in Materials Science. M. S. S. Gemming, J.-B. Suck. Berlin, Springer.

Binder, K., D. Herzbach, et al. (2005). Computer Simulations of Undercooled Fluids and Glasses, Chemnitz.

Binder, K., J. Horbach, et al. (2007). "Computer simulation of molten silica and related glassforming fluids: recent progress." J. Phys.: Condens. Matter 19: 205102.

Binder, K., J. Horbach, et al. (2007). "Monte Carlo simulations of phase transitions of systems in nanoscopic confinement." Comp. Phys. Comm. 177: 140.

Binder, K., J. Horbach, et al. (2005). "Modelling glass materials." Ceramics International 31: 713-717.

Bischof, R. and P. R. Crompton (2006). "Leading Corrections to Finite-Size Scaling for Mixed-Spin Chains." JETP Letters 84: 613.

Bittner, E. and W. Janke (2006). "Free-Energy Barriers in the Sherrington-Kirkpatrick Model." Europhys. Lett. 74: 195.

Bogacz, L. and W. Janke (2005). "QMC Simulations of Heisenberg Ferromagnet." PoS LAT2005: 241-1--6.

Bozsoki, P. (2005). Microscopic modeling of photoluminescence in disordered semiconductors. Fachbereich Physik. Marburg, Philipps-Universität Marburg. Doktorarbeit.

Bozsoki, P., M. Kira, et al. (2007). "Microscopic modeling of photoluminescence of strongly disordered semiconductors." Journal of Luminescence 124: 99-112.

Bozsoki, P., P. Thomas, et al. (2006). "Characterization of Disorder in Semiconductors via Single-Photon Interferometry." Phys. Rev. Lett. 97: 227402-1--4.

Bulla, R., S. Tornow, et al. (2008). "Electronic Correlations in Electron Transfer Systems." Advances in Solid State Physics 47: 69.

Bürzle, F. and P. Nielaba (2007). "Phase transitions in two-dimensional model colloids in a one-dimensional external potential." Phys. Rev. E 76: 051112.

Bussetti, G., C. Goletti, et al. (2008). "Dispersion of surface bands and chain coupling at Si and Ge(111) surfaces." Surface Science 602: 1423.

Capogrosso-Sansone, B., S. Wessel, et al. (2008). "Three-body Interactions in One Dimension." Phys. Rev. B accepted: arXiv:0807.4563.

Capponi, S. and F. F. Assaad (2007). "Spin-nematic phases in models of correlated electron systems: A numerical study." Phys. Rev. B 75: 045115.

Carbogno, C., A. Groß, et al. (2007). "Ab initio investigation of the laser induced desorption of iodine from KI(100)." Applied Physics A 88: 579.

Carre, A., L. Berthier, et al. (2007). "Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation study." J. Chem. Phys. accepted: preprint arXiv:0707.0319.

Causo, M. S., G. Ciccotti, et al. (2005). "An adiabatic linearized path integral approach for quantum time correlation functions: electronic transport in metal-molten salt solutions." J. Phys. Chem. B 109: 6855.

Chatterji, A. and J. Horbach (2005). "Combining molecular dynamics with Lattice-Boltzmann: A hybrid method for the simulation of (charged) colloidal systems." J. Chem. Phys. 122: 184903.

Chatterji, A. and J. Horbach (2006). "Electrophoretic properties of charged colloidal suspensions: Application of a hybrid MD/LB method." Math. Comp. Sim. 72: 98.

Chatterji, A. and J. Horbach (2007). "Electrophoretic Properties of Highly Charged Colloids: A Hybrid MD/LB Simulation Study." J. Chem. Phys. 126: 064907.

Chen, Y.-C., R. Melko, et al. (2008). "Supersolidity from defect-condensation in the extended boson Hubbard model." Phys. Rev. B 77: 014524.

Chowdhury, D. and D. Stauffer (2005). "Evolutionary ecology in silico: Does mathematical modelling help in understanding ‘generic’ trends?" Journal of Bioscience 30: 277.

Corboz, P., A. Kleine, et al. (2008). "Recent results from the Gaussian Quantum Monte Carlo method for fermions with symmetry projection." Phys. Rev. B 77: 085108.

Dabrowski, J., A. Fleszar, et al. (2005). "Atomic-scale properties of high-k dielectrics: ab initio study for Pr-based materials." Advances in Solid State Physics 45: 339.

Das, S. K., M. E. Fisher, et al. (2006). "Critical Dynamics in a Binary Fluid: Simulations and Finite-size Scaling." Phys. Rev. Lett. 97: 025702.

Das, S. K., J. Horbach, et al. (2003). "Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture." J. Chem. Phys. 119: 1547.

Das, S. K., J. Horbach, et al. (2004). "The bulk viscosity of a symmetrical Lennard–Jones mixture above and at liquid–liquid coexistence: A computer simulation study." Phase Transitions 77: 823.

Das, S. K., J. Horbach, et al. (2006). "Static and Dynamic Critical Behavior of a Symmetrical Binary Fluid: A Computer Simulation." J. Chem. Phys. 125: 024506.

Das, S. K., J. Horbach, et al. (2005). "Influence of Chemical Short Range Order on Atomic Diffusion in Al–Ni Melts." Appl. Phys. Lett. 86: 011918.

Das, S. K., S. Puri, et al. (2006). "Molecular Dynamics Study of Phase Separation Kinetics in Thin Films." Phys. Rev. Lett. 96: 016107.

Das, S. K., S. Puri, et al. (2006). "pinodal Decomposition in Thin Films: Molecular Dynamics Simulations of a Binary Lennard-Jones Fluid Mixture." Phys. Rev. E 73: 031604.

Dreher, M., D. Fischer, et al. (2004). Numerical Investigations of Complex Nano-Systems. NIC Symposium 2004, Forschungszentrum Jülich.

Dreher, M., D. Fischer, et al. (2005). "Numerical Investigations of Complex Nano-Systems." Phase Trans. 78: 751.

Dreher, M., K. Franzrahe, et al. (2005). Numerical Studies of Model Colloids and Nano-Wires. High Performance Computing in Science and Engineering 04, Springer, Berlin.

Dreher, M., F. Pauly, et al. (2005). "Structure and conductance histogram of atomic-sized Au contacts." Phys. Rev. B 72: 075435.

Duc, H. T., T. Meier, et al. (2005). "Temporal decay of coherently optically injected charge and spin currents due to carrier LO-phonon and carrier-carrier scattering." Phys. Rev. Lett. 95: 086606-1--4

Duc, H. T., Q. T. Vu, et al. (2006). "Temporal decay of coherently optically injected charge and spin currents due to carrier LO-phonon and carrier-carrier scattering." Phys. Rev. B 74: 165328-1--16.

Düchs, D. and F. Schmid (2004). "Formation and structure of the microemulsion phase in ternary AB + A + B polymeric emulsions." J. Chem. Phys. 121: 2798.

Eich, D., O. Fuchs, et al. (2006). "Resonant inelastic soft x-ray scattering of Be chalcogenides." Phys. Rev. B 73: 115212.

Fehske, H., G. Wellein, et al. (2004). "Quantum lattice dynamical effects on the single-particle excitations in 1D Mott and Peierls insulators." Phys. Rev. B 69: 165115.

Feldbacher, M., K. Held, et al. (2004). "Projective Quantum Monte Carlo Method for the Anderson Impurity Model and its Application to Dynamical Mean Field Theory." Phys.Rev. Lett. 93: 136405.

Feldner, H., A. Honecker, et al. (2010). "Edge Magnetism in Graphene: Mean-Field Theory compared with Exact Diagonalization and Quantum Monte Carlo Simulation." Phys. Rev. B. accepted.

Fleszar, A. and E. K. U. Gross (2005). "Exact-exchange density-functional calculations for IIB-VI semiconductors." submitted.

Fleszar, A. and W. Hanke (2005). "Electronic structure of IIB-VI semiconductors in the GW approximation." Phys. Rev. B 71: 045207.

Fleszar, A., M. Potthoff, et al. (2007). "Electronic structure of zinc-blende MnTe within the GW approximation." phys.stat.sol.(c) 4: 3270.

Fotheringham, U., K. Binder, et al. (2005). "Atomistic simulation of glasses - Strategic considerations and review of selective results." Glass Sci. Tech. 78: 203.

Franzrahe, K., P. Henseler, et al. (2005). "Two-dimensional model colloids and nano-wires: phase transitions, effects of external potentials and quantum effects." Comp. Phys. Commun. 169: 197.

Franzrahe, K., P. Keim, et al. (2008). "Nonlocal elastic compliance from soft solids: Theory, simulations, and experiment." Phys. Rev. E 78: 026108.

Franzrahe, K., J. Neder, et al. (2008). Computer Simulations of Soft Matter- and Nano- Systems. High Performance Computing in Science and Engineering 07, Springer.

Franzrahe, K. and P. Nielaba (2007). "Entropy versus energy: The phase behavior of a hard-disk mixture in a periodic external potential." Phys. Rev. E 76: 061503.

Franzrahe, K., P. Nielaba, et al. (2008). "Field induced ordering phenomena and non-local elastic compliance in two-dimensional colloidal crystals." Journal of Physics: Cond. Mat. 20: 404218.

Fukushima, N., A. Honecker, et al. (2005). "Specific heat and magnetic susceptibility of ferromagnetic mixed-spin chain systems." Physica B 359-361: 1409.

Garleff, J. K., M. Wenderoth, et al. (2007). "Identification of P dopants at nonequivalent lattice sites of the Si(111)-(2×1) surface." Phys. Rev. B 76: 125322.

Germano, G., M. Engel, et al. (2006). City@home: Monte Carlo derivative pricing distributed on networked computers. Proceedings of the 1st International Workshop on Grid Technology for Financial Modeling and Simulation, Palermo, PoS(GRID2006)011/1-13.

Germano, G. and F. Schmid (2005). "Nematic-isotropic interfaces under shear: A molecular dynamics simulation." J. Chem. Phys. 123: 214703.

Gimperlein, H., S. Wessel, et al. (2005). "Ultracold Atoms in Optical Lattices with Random On-Site Interactions." Phys. Rev. Lett. 95: 170401.

Gimperlein, H., S. Wessel, et al. (2006). "Random on-site interactions versus random potential in ultra cold atoms in optical lattices." Appl. Phys. B 82: 217.

Giupponi, G., J. Harting, et al. (2006). "Emergence of rheological properties in lattice Boltzmann simulations of gyroid mesophases." Europhysics Letters 73: 533-539.

Gögh, N., P. Thomas, et al. (2009). "Localization of excitons in weakly disordered semiconductor structures: A model study." Annalen der Physik 18: 905-909.

Golde, D., T. Meier, et al. (2006). "Microscopic analysis of extreme nonlinear optics in semiconductor nanostructures." J. Opt. Soc. Am. B 23: 2559-2565.

Golde, D., T. Meier, et al. (2007). Modeling of the Extreme Nonlinear Optical Response of Semiconductor Nanostructures. Ultrafast Phenomena XV, Springer Series in Chemical Physics, Vol 88, Springer: pp. 689-691.

Golde, D., T. Meier, et al. (2008). "High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations." Phys. Rev. B 77: 075330.

Golde, D., T. Meier, et al. (2009). "Microscopic analysis of high-harmonic generation in semiconductor nanostructures." physica status solidi (c) 6: 420-423.

Grenzebach, C., F. B. Anders, et al. (2006). "Transport properties of heavy-fermion systems within DMFT/NRG " Physica B: Condensed Matter 378-380: 690.

Grenzebach, C., F. B. Anders, et al. (2006). "Transport properties of heavy-fermion systems " Phys. Rev. B 74: 195119.

Grenzebach, C., F. B. Anders, et al. (2008). "On the influence of disorder onto transport properties of heavy-fermion systems " Phys. Rev. B 77: 115125.

Grodecka, A. (2008). Spin and charge qubits in quantum dots: optimization of storage and control protocols. Institute of Physics, Wroclaw University of Technology. Doktorarbeit.

Grodecka, A., P. Machnikowski, et al. (2009). "Indirect spin dephasing via charge-state decoherence in optical control schemes in quantum dots." Phys. Rev. A 79: 042331.

Gygi, O., H. G. Katzgraber, et al. (2006). "Simulations of ultracold bosonic atoms in optical lattices with anharmonic traps." Phys. Rev. A 73: 063606.

Gynz-Rekowski, F. v., W. Quester, et al. (2007). "Experimental and theoretical studies of materials consisting of magic Si7 clusters." Eur. Phys. J. D 45: 409.

Haase, S., J.-L.-. Frisch, et al. (2004). "Quantum correction for the liquid-gas transition of Lennard-Jones particles in two dimensions." Phys. Rev. E 69: 012501.

Häfner, M., J. K. Viljas, et al. (2008). "Theoretical study of the conductance of ferromagnetic atomic-sized contacts." Phys. Rev. B 77: 104409.

Hagemans, R., J.-S. Caux, et al. (2005). "Gapped Heisenberg spin chains in a field." Phys. Rev. B 71: 014437.

Hager, G., E. Jeckelmann, et al. (2004). "Parallelization strategies for density matrix renormalization group algorithms on shared-memory systems." Journal of Computational Physics 194: 795.

Hager, G., E. Jeckelmann, et al. (2004). DMRG investigation of stripe formation in doped Hubbard ladders, Springer Verlag Berlin Heidelberg.

Hager, G., G. Wellein, et al. (2005). "Stripe formation in doped Hubbard ladders." Phys. Rev. B 71: 075108.

Harting, J. (2008). Mesoscopic simulations of multiphase flows. Stuttgart, University of Stuttgart Habilitation.

Harting, J., J. Chin, et al. (2005). "Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational grids." Phil. Trans. R. Soc. Lond. A 363: 1895-1915.

Harting, J., G. Giupponi, et al. (2007). "Structural transitions and arrest of domain growth in sheared binary immiscible fluids and microemulsions." Phys. Rev. E 75: 041504.

Harting, J., M. Harvey, et al. (2004). "Detection and tracking of defects in the gyroid mesophase." Comp. Phys. Comm. 165: 97.

Harting, J., M. Hecht, et al. (2006). Computer simulation of particle suspensions in Multifield Problems in Solid and Fluid Mechanics. Lecture Notes in Applied and Computational Mechanics 28. R. Helmig, A. Mielke and B. I. Wohlmuth, Springer.

Harting, J., H. J. Herrmann, et al. (2008). "Anomalous distribution functions in sheared suspensions." Europhysics Letters 83: 30001.

Harting, J., A. Komnik, et al. (2006). Lattice-Boltzmann simulations of transport phenomena and structuring in suspensions. Behavior of Granular Media. P. Walzel, S. Linz, C. Krülle and R. Grochowski, Shaker Verlag.

Harting, J., C. Kunert, et al. (2006). "Lattice Boltzmann simulations of apparent slip in hydrophobic microchannels." Europhysics Letters 75: 328-334.

Hauschild, A., K. Karki, et al. (2005). "Molecular Distortions and Chemical Bonding of a Large pi-Conjugated Molecule on a Metal Surface." Phys. Rev. Lett. 94: 036106.

Hecht, M. (2006). Simulation of Peloids, Universität Stuttgart. Ph. D.

Hecht, M., J. Harting, et al. (2006). "Shear viscosity of clay-like colloids in computer simulations and experiments." Phys. Rev. E 74: 021403.

Hecht, M., J. Harting, et al. (2007). "Formation and growth of clusters in colloidal suspensions." Int. J. Mod. Phys. C 18: 501.

Hecht, M., J. Harting, et al. (2007). "Stability diagram for dense suspensions of model colloidal Al2O3-particles in shear flow." phys. Rev. E 75: 051404.

Hecht, M., J. Harting, et al. (2005). "Simulation of claylike colloids." Phys. rev. E 72: 011408.

Hegedüs, J. (2006). Computer simulation of growth and photo-induced phenomena. Fachbereich Physik. Marburg, Philipps-Universität Marburg. Doktorarbeit.

Hegedüs, J. and S. Kugler (2005). "Growth of amorphous selenium thin films: classical versus quantum mechanical molecular dynamics simulation." Journal of Physics: Condensed Matter 17: 6459-6468.

Henkel, M., M. Paeßens, et al. (2003). "Scaling of the magnetic linear response in phase-ordering kinetics." Europhys. Lett. 62: 664.

Henkel, M., A. Picone, et al. (2004). "Two-time autocorrelation function in phase-ordering kinetics from local scale-invariance." Europhys. Lett. 68: 191.

Henkel, M. and M. Pleimling (2003). "Local scale invariance as dynamical space-time symmetry in phase-ordering kinetics." Phys. Rev. E 68: 065101(R).

Henkel, M. and M. Pleimling (2005). "Ageing and dynamical scaling in the critical Ising spin glass." Europhys. Lett. 69: 524.

Henkel, M. and M. Pleimling (2005). "On the scaling and ageing behaviour of the alternating susceptibility in spin glasses and local scale-invariance." J. Phys. Condens. Matter 17: 1899.

Henseler, P., C. Schieback, et al. (2007). Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations. High Performance Computing in Science and Engineering 06. W. Nagel, W. Jäger and M. Resch. Berlin, Springer: p. 97.

Hergert, W., J. Wensch, et al. (2004). "The solution of stationary ode problems in quantum mechanics by magnus methods with stepsize control." Computer Physics Communications 160 (2): 129-139.

Herrmann, H. J., J. Harting, et al. (2008). "Simulation of dense colloids." Brazilian Journal of Physics 38: 37.

Hochkeppel, S., F. F. Assaad, et al. (2008). "A Dynamical Quantum Cluster Approach to Two-Particle Correlation Functions in the Hubbard Model." Phys. Rev. B 77: 205103.

Hohenadler, M., D. Neuber, et al. (2005). "Photoemission spectra of many-polaron systems." Phys. Rev. B 71: 245111.

Holtschneider, M., S. Wessel, et al. (2007). "Classical and quantum two-dimensional anisotropic Heisenberg antiferromagnets." Phys. Rev. B 75: 224417.

Honecker, A. and S. Wessel (2006). "Magnetocaloric effect in two-dimensional spin-1/2 antiferromagnets." Physica B 378-380: 1098.

Horbach, J., S. K. Das, et al. (2007). "Self-diffusion and Interdiffusion in Al80Ni20 Melts: Simulation and Experiment." Phys. Rev. B 75: 174304.

Horbach, J. and S. Succi (2006). "Lattice Boltzmann versus Molecular Dynamics simulation of nano-hydrodynamic flows." Phys. Rev. Lett. 96: 224503.

Hyväluoma, J. and J. Harting (2008). "Slip flow over structured surfaces with entrapped microbubbles." Phys. Rev. Lett. 100: 246001.

Isakov, S. V., S. Wessel, et al. (2006). "Valence Bond Solids and Their Quantum Melting in Hard-Core Bosons on the Kagome Lattice." Phys. Rev. Lett. 97: 147202.

Jagannathan, A., R. Moessner, et al. (2006). "Inhomogeneous quantum antiferromagnetism on periodic lattices." Phys. Rev. B 74: 184410.

Jagannathan, A., A. Szallas, et al. (2007). "Penrose quantum antiferromagnet." Phys. Rev. B 75: 212407.

Janke, W. (2007). Introduction to Simulation Techniques. Ageing and the Glass Transition; Lect. Notes Phys. 716. M. Henkel, M. Pleimling and R. Sanctuary. Berlin, Springer.

Janke, W. (2007). Rugged Free Energy Landscapes -- An Introduction. Rugged Free Energy Landscapes: Common Computational Approaches to Spin Glasses, Structural Glasses and Biological Macromolecules; Lect. Notes Phys. 736; in press. W. Janke. Berlin, Springer.

Jungblut, S., K. Binder, et al. (2008). "Isotropic-isotropic phase separation in mixtures of rods and spheres: Some aspects of Monte Carlo simulation in the grand canonical ensemble." Computer Physics Communications 179: 13.

Jungblut, S., K. Binder, et al. (2008). "Suspensions of rod-like colloids and depleting agent under confinement." J. Phys.: Condens. Matter 20: 404223.

Junger, J., D. Ihle, et al. (2006). "Thermodynamics of Heisenberg Ferromagnets with Arbitrary Spin in a Magnetic Field." Phys. Rev. B sumbitted: Leipzig preprint (February 2006).

Kalinski, M. (2004). Solitons acceleration in Bose-Einstein condensate with attractive interation. DAMOP Meeting, Tucson, Arizona.

Kalinski, M. (2005). Monte Carlo simulations of supersolids in Bose-Einstein condensates. OSA Meeting, Tucson, Arizona.

Kalinski, M., J. H. Eberly, et al. (2003). "Rutherford atomin quantum theory." Phys. Rev. A 67: 032503.

Kalinski, M., K. Vogel, et al. (2004). Dynamics of Bose-Einstein Condensates with Long-Range Attractive Interactions. NIC Symposium 2004, Jülich.

Kataev, V., A. Möller, et al. (2005). "Structural and magnetic properties of the new low-dimensional spin magnet InCu2/3V1/3O3." JMMMM 290-291: 310-313.

Keller, G. (2005). Realistic modeling of stronlgy correlated electron systems. Augsburg, Universität Augsburg. Doktorarbeit.

Keller, G., K. Held, et al. (2004). "Electronic structure of paramagnetic V2O3: Strongly correlated metallic and Mott insulating phase." Phys. Rev. B 70: 205116.

Khomskii, D. I. and U.Löw (2004). "Superstructures at low spin -high spin transitions." Phys. Rev. B 69: 184401.

Kikuchi, N. and J. Horbach (2007). "Mobile particles in an immobile environment: Molecular Dynamics simulation of a binary Yukawa mixture." Europhys. Lett. 77: 26001.

Knoth, H. (2004). Molekulardynamiksimulationen zur Untersuchung des Mischalkalieffektes in siliklatischen Gläsern. Mainz, Universität Mainz. PhD.

Knoth, H., J. Horbach, et al. (2004). The Mixed–Alkali Effect In a Ternary Alkali Silicate Mixture: A Molecular Dynamics Simulation Study. 3rd International Conference “Computational Modeling and Simulation of Materials", Acireale, Sicily, Italy.

Komnik, A., J. Harting, et al. (2004). "Transport Phenomena and Structuring in Shear Flow of Suspensions near Solid Walls." J. Stat. Mech: Theor. Exp.: 12003.

Köppl, M., P. Henseler, et al. (2006). "Layer reduction in driven 2D-colloidal systems through microchannels." Phys. Rev. Lett. 97: 208302.

Kraft, A., R. Temirov, et al. (2006). "Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface." Phys. Rev. B 74: 041402.

Krauss, M., M. Aeschlimann, et al. (2008). "Ultrafast Spin Dynamics Including Spin-Orbit Interaction in Semiconductors." Phys. Rev. Lett. 100: 256601.

Kreer, T., J. Horbach, et al. (2006). "Nonlinear effects in charge stabilized colloidal suspensions." Phys. Rev. E 74: 021401.

Kunert, C. (2006). Untersuchung von Randbedingungen in Mikrofluid Systemen, Universität Stuttgart. Diplom.

Kunert, C. and J. Harting (2008). "On the effect of surfactant adsorption and viscosity change on apparent slip in hydrophobic microchannels." Progress in Computational Fluid Dynamics 8: 197.

Kunert, C. and J. Harting (2008). "Simulation of fluid flow in hydrophobic rough microchannels." International Journal of Computational Fluid Dynamics 22: 475-480.

Kuznetsova, I. (2007). Investigation of semiconductor nanostructures using optical two-dimensional Fourier-transform spectroscopy. Marburg, Philipps-Universität Marburg Doktorarbeit.

Kuznetsova, I., N. Gögh, et al. (2010). "Modeling excitonic line shapes in weakly disordered semiconductor nanostructures." Phys. Rev. B 81: 075307.

Kuznetsova, I., T. Meier, et al. (2007). "Determination of Homogeneous and Inhomogeneous Broadening in Semiconductor Nanostructures by Optical Two-Dimensional Fourier-Transform Spectroscopy." Phys.Rev. B 76: 153301.

Kuznetsova, I., P. Thomas, et al. (2009). "Determination of homogeneous and inhomogeneous broadenings of quantum-well excitons by 2DFTS: An experiment-theory comparison." physica status solidi (c) 6: 445-448.

Kuznetsova, I., P. Thomas, et al. (2007). "Signatures of Many-Particle Correlations in Two-Dimensional Fourier-Transform Spectra of Semiconductor Nanostructures." Solid State Communications 142: 154.

Laflorencie, N., S. Wessel, et al. (2006). "Random-exchange quantum Heisenberg antiferromagnets on the square lattice." Phys. Rev. B 73: 060403(R).

Lavalle, C., M. Arikawa, et al. (2003). "Antiholons in one-dimensional t-J models." Phys. Rev. Lett. 90: 216401.

Lenz, O. and F. Schmid (2005). "A simple computer model for liquid lipid bilayers." J. Mol. Liquids 117(1-3): 147-152.

Lenz, O. and F. Schmid (2007). "Structure of the symmetric and asymmetric "Ripple" phases in Lipid Bilayers." Phys. Rev. Lett. 98: 058104.

Lin, J. C., F. B. Anders, et al. (2007). "Influence of Correlated Hybridization on the Conductance of Molecular Transistors." Phys. Rev. B 76: 115401.

Longo, R. C., V. S. Stepanyuk, et al. (2004). "Interface intermixing in metal heteroepitaxy on the atomic scale." Phys. Rev. B 69: 073406.

Löw, U. (2007). "Néel order in the two-dimensional S=1/2 Heisenberg Model." Phys. Rev. B Rapid Comm. accepted.

Lüders, M., A. Ernst, et al. (2005). "Self interaction corrections in multiple scattering theory." Phys. Rev. B 71: 205109.

Luitz, D. J. and F. F. Assaad (2010). "A weak coupling CTQMC study of the single impurity and periodic Anderson models with s-wave superconducting baths " Phys. Rev. B 81: 045412.

Magiera, M. P., D. E. Wolf, et al. (2009). "Magnetic Friction and the Role of Temperature." IEEE Transactions on Magnetics 45: 3938.

Magiera, M. P., D. E. Wolf, et al. (2009). "Spin excitations in a monolayer scanned by a magnetic tip." Europhys. Lett. 87: 26002.

Magyar, R. J., A. Fleszar, et al. (2004). "Exact-exchange density-functional calculations for noble-gas solids." Phys. Rev. B 69: 045111.

Magyar, R. J., A. Fleszar, et al. (2005). "Exact-exchange density-functional calculations for simple ionic crystals." submitted.

Manmana, S. R. (2006). Nonequilibrium dynamics of strongly correlated quantum systems. Stuttgart, Universität Stuttgart. Doktorarbeit.

Manmana, S. R., A. Muramatsu, et al. (2004). Time evolution of one-diemnsional quantum many-body systems. AIP Conference Proceedings 789, 269, Vietri sul Mare (Salerno, Italy).

Manmana, S. R., S. Wessel, et al. (2007). "Strongly Correlated Fermions After a Quantum Quench." Phys. Rev. Lett. 98: 210405.

Martin, L. C. and F. F. Assaad (2008). "Evolution of the Fermi Surface across a Magnetic Order-Disorder Transition in the Two-Dimensional Kondo Lattice Model: A Dynamical Cluster Approach " Phys. Rev. Lett. accpted: http://xxx.lanl.gov/abs/0711.2235.

Meier, T., H. T. Duc, et al. (2006). Computational Optoelectronics of Semiconductor Nanostructures including Many-Body Effects. NIC Symposium 2006, Jülich, John von Neumann Institute for Computing.

Meier, T., H. T. Duc, et al. (2007). "Ultrafast Dynamics of Optically-Induced Charge and Spin Currents in Semiconductors." Advances in Solid State Physics 46: 199-210.

Meier, T. and S. W. Koch (2006). Microscopic Theory of Coherent Semiconductor Optics. Winter School on Quantum Coherence in Matter: From Quarks to Solids. Schladming, Österreich, Springer. Lecture Notes in Physics 689: 115-152.

Meier, T., B. Pasenow, et al. (2007). "Ultrafast dynamics of photoexcited charge and spin currents in semiconductor nanostructures." Proceedings of the SPIE 6471: 647108.

Meier, T., M. Reichelt, et al. (2005). "Femtosecond Time-Resolved Five-Wave Mixing at Silicon Surfaces." J. of Physics: Condensed Matter; Special Issue "Optical Analysis of Surfaces" 17: S221-S244.

Meier, T., C. Sieh, et al. (2004). Optical properties of semiconductor quantum wells inside microcavities. Optical Microcavities. K. Vahala, World Scientific: 239-317.

Meier, T., Q. T. Vu, et al. (2007). Microscopic Many-Body Analysis of Ultrafast Photocurrents in Semiconductor Nanostructures. Ultrafast Phenomena XV, Springer Series in Chemical Physics, Vol 88, Springer: pp. 668-670.

Meier, T., Q. T. Vu, et al. (2007). Microscopic Many-Body Analysis of Ultrafast Photocurrents in Semiconductor Nanostructures. Ultrafast Phenomena XV, Springer Series in Chemical Physics 88, pp. 668-670, Springer.

Mejean, G., J. Kasparian, et al. (2005). "Multifilamentation transmission through fog." Phys. Rev. E 72: 026611.

Meng, Z. Y. and S. Wessel (2008). "Phases and magnetization process of an anisotropic Shastry-Sutherland model." Phys. Rev. B submitted: arXiv:0808.3104.

Mering, A. and M. Fleischhauer (2008). "The one-dimensional Bose-Fermi-Hubbard model in the heavy-fermion limit." Phys. Rev. A 77: 023601.

Meyer, A., J. Horbach, et al. (2004). "Channel Formation and Intermediate Range Order in Sodium Silicate Melts and Glasses." Phys. Rev. Lett. 93: 027801.

Michael, S., W. W. Chow, et al. (2006). "Coulomb corrections to the slowdown factor in quantum-dot quantum coherence." APPLIED PHYSICS LETTERS 89: 181114.

Milat, I., F. F. Assaad, et al. (2004). "Field induced magnetic ordering transition in Kondo insulators." Eur. Phys. J. B 38: 571.

Mischler, C., J. Horbach, et al. (2005). "Water adsorption on amorphous silica surfaces: A Car-Parrinello simulation study." J. Phys.: Condens. Matter 17: 4005.

Muth, D., A. Mering, et al. (2008). "Ultracold bosons in disordered superlattices: Mott-insulators induced by tunneling." Phys. Rev. A 77: 043618.

Nekrasov, I. A., G. Keller, et al. (2005). "Comparative study of correlation effects in CaVO3 and SrVO3." Phys. Rev. B 72: 155106.

Nielaba, P., K. Binder, et al. (2004). "Elastic properties, strictures and phase transitions in model colloids." J. Phys: Cond. Mat. 16: S.4115.

Nielaba, P., K. Binder, et al. (2004). "Elastic properties, structures and phase transitions in model colloids." J.Phys.: Cond. Mat. 16: 4115.

Nielaba, P., S. Sengupta, et al. (2006). Phase Transitions of Model Colloids in External Fields. Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology. ed., M. Ferrario, G. Ciccotti and K. Binder. Berlin, Springer: p. 163.

Nohadani, O., S. Wessel, et al. (2005). "Bose-Glass Phases in Disordered Quantum Magnets." Phys. Rev. Lett. 95: 227201.

Nohadani, O., S. Wessel, et al. (2005). "Quantum phase transitions in coupled dimer compounds." Phys. Rev. B 72: 024440.

Nohadani, O., S. Wessel, et al. (2004). "Universal scaling at field-induced magnetic phase transitions." Phys. Rev. B 69: 220402(R).

Nußbaumer, A., E. Bittner, et al. (2005). "Evaporation/Condensation of Ising Droplets." PoS LAT2005: 252-1--6.

Nußbaumer, A., E. Bittner, et al. (2007). "Interface Tension of the Square Lattice Ising Model with Next-Nearest-Neighbour Interactions." Europhys. Lett. 78: 16004-1--6.

Nußbaumer, A., E. Bittner, et al. (2007). "Monte Carlo Study of the Evaporation/Condensation Transition on Different Ising Lattices." Phys. Rev. E submitted: arXiv:0709.3061.

Nußbaumer, A., E. Bittner, et al. (2006). "Monte Carlo Study of the Evaporation/Condensation Transition of Ising Droplets." Europhys. Lett. 75: 716.

Nußbaumer, A., E. Bittner, et al. (2007). Universality of the Evaporation/Condensation Transition. Computer Simulations in Condensed Matter Physics XX, in press. D. P. Landau, S. P. Lewis and H.-B. Schüttler. Heidelberg, Berlin, Springer.

Ohms, T., K. Hiebbner, et al. (2006). "Spin- and energy relaxation of hot electrons at GaAs surfaces." TOPICS IN APPLIED PHYSICS 101: 309.

Olsen, M. K. and L. Plimak (2004). "An investigation of the role of quantum statistics in interacting atomic and molecular Bose-Einstein condensates." Laser Physics 14: 331.

Oszwałdowski, R., M. Reichelt, et al. (2005). "Nonlinear optical response of the Si(111)-(2x1) surface excitation: Influence of biexciton many-body correlations." Phys. Rev. B 71: 235324-1--10.

Pasenow, B., H. T. Duc, et al. (2008). "Rabi flopping of charge and spin currents generated by ultrafast two-colour photoexcitation of semiconductor quantum wells." Solid State Communications 145: 61-65

Pasenow, B., M. Reichelt, et al. (2005). "Excitonic wave packet dynamics in semiconductor photonic-crystal structures." Phys.Rev. B 71: 195321-1--15.

Pasenow, B., M. Reichelt, et al. (2007). "Microscopic analysis of the optical and electronic properties of semiconductor photonic-crystal structures." Phys. Stat. Sol. (a) 204: 3600-3617

Pasenow, B., M. Reichelt, et al. (2005). "Enhanced light-matter interaction in semiconductor heterostructures embedded in one-dimensional photonic crystals." J. Opt. Soc. Am. B 22: 2039-2048.

Pauly, F., M. Dreher, et al. (2006). "Theoretical analysis of the conductance histograms and structural properties of Ag, Pt, and Ni nanocontacts." Phys. Rev. B 74: 235106.

Pazy, E., I. Tikhonenkov, et al. (2005). "Nonlinear adiabatic passage from fermion atoms to boson molecules " Phys. Rev. Lett. 95: 170403.

Pedrini, B., J. L. Gavilano, et al. (2006). "Quenching of the Haldane gap in LiVSi2O6 and related compounds." Eur. Phys. J. B 55: 219.

Peters, R., T. Pruschke, et al. (2006). "A Numerical Renormalization Group approach to Green's Functions for Quantum Impurity Models." Phys. Rev. B 74: 245114

Pfleiderer, P., J. Horbach, et al. (2006). "Structure and transport properties of amorphous aluminium silicates: computer simulation studies." Chem. Geol. 229: 186.

Pfleiderer, P., K. Milinkovic, et al. (2008). "Glassy dynamics in monodisperse hard ellipsoids." Europhys. Lett. 84: 16003.

Pfleiderer, P. and T. Schilling (2007). "Simple monoclinic crystal phase in suspensions of hard ellipsoids." Phys. Rev. E 75: 020402(R).

Pick, S., V. S. Stepanyuk, et al. (2004). "Magnetism and structure on the atomic scale: Small cobalt clusters in Cu(001)." Phys. Rev. B 70: 224419.

Pleimling, M. (2004). "Aging phenomena in critical semi-infinite systems." Phys. Rev.B 70: 104401.

Pleimling, M. and A. Gambassi (2005). "Corrections to local scale invariance in the non-equilibrium dynamics of critical systems: numerical evidences." Phys. Rev. B 71: 180401(R).

Plimak, L., M. K. Olsen, et al. (2004). "Occupation number and fluctuations in the finite-temperature Bose-Hubbard model " Phys. Rev. A 70: 013611.

Plucinski, L., R. L. Johnson, et al. (2004). "Valence-band electronic structure of ZnSe(001) thin films: Theory and experiment." Phys. Rev. B 70: 125308.

Pour, F. K., M. Rigol, et al. (2007). "Supersolids in Confined Fermions on One-Dimensional Optical Lattices." Phys. Rev. B 75: 161104(R).

Pump, F., R. Temirov, et al. (2008). "Quantum transport through STM-lifted single PTCDA molecules." Applied Physics A 93: 335.

Quester, W., S. H. L. Klapp, et al. (2006). Numerical Investigations of Nano-Systems in Reduced Geometry. High Performance Computing in Science and Engineering 05. W. Nagel, W. Jäger and M. Resch, Springer, Berlin.

Raczkowski, M., P. Zhang, et al. (2010). "Phonons and the coherence scale of models of heavy fermions." Phys. Rev. B 81: 054444.

Reichelt, M. (2005). Linear and nonlinear optical excitations in spatially-inhomogeneous semiconductor systems. Fachbereich Physik. Marburg, Philipps-Universität Marburg. Doktorarbeit.

Reichelt, M. and T. Meier (2009). "Shaping the spatiotemporal dynamics of the electron density in a hybrid metal-semiconductor nanostructure." Optics Letters 34: 2900-2902.

Reichelt, M., B. Pasenow, et al. (2005). "Spatially-inhomogeneous optical gain in semiconductor photonic-crystal structures." Phys. Rev. B 71: 035346-1-9.

Ricci, A., P. Nielaba, et al. (2006). "Lack of long-range order in confined two-dimensional model colloidal crystals." Phys. Rev. E 74: 010404(R).

Ricci, A., P. Nielaba, et al. (2007). "Ordering of two-dimensional crystals confined in strips of finite widths." Phys. Rev. E 75: 011405.

Ricci, A., P. Nielaba, et al. (2008). Computer Simulations of Models for Confined Two-Dimensional Colloidal Crystals: Evidence for the Lack of Positional Long Range Order. Computer Simulation Studies in Condensed Matter Physics XIX, Springer Berlin.

Rigol, M. (2004). Numerically exact studies of ultracold atoms on optical lattices. Stuttgart, Universität Stuttgart. Doktorarbeit.

Rigol, M., S. R. Manmana, et al. (2005). "Comment on "Novel Superfluidity in a Trapped Gas of Fermi Atoms with Repulsive Interaction Loaded on an Optical Lattice"." Phys. Rev. Lett. 95: 218901.

Rigol, M. and A. Muramatsu (2004). "Confinement control by optical lattices." Phys. Rev. A 70: 043627.

Rigol, M. and A. Muramatsu (2004). "Emergence of Quasicondensates of Hard-Core Bosons at Finite Momentum." Phys. Rev. Lett. 93: 230404.

Rigol, M. and A. Muramatsu (2004). "Numerical simulations of strongly correlated fermions confined in 1D optical lattices." Opt. Commun. 243: 33.

Rigol, M. and A. Muramatsu (2004). "Universal properties of hard-core bosons confined on one-dimensional lattices." Phys. Rev. A 70: 031603(R).

Rigol, M. and A. Muramatsu (2005). "Exact numerical approach to hard-core bosons on one-dimensional lattices." Comp. Phys. Comm. 169: 416.

Rigol, M. and A. Muramatsu (2005). "Fermionization in an Expanding 1D Gas of Hard-Core Bosons." Phys. Rev. Lett. 94: 240403.

Rigol, M. and A. Muramatsu (2005). "Free expansion of impenetrable bosons on one-dimensional optical lattices." Mod. Phys. Lett. B 19: 861.

Rigol, M. and A. Muramatsu (2005). "Ground-state properties of hard-core bosons confined on one-dimensional optical lattices." Phys. Rev. A 72: 013604.

Rigol, M. and A. Muramatsu (2005). "Hard-core bosons and spinless fermions trapped on 1D lattices." Jour. Low. Temp. Phys. 138: 645.

Rigol, M. and A. Muramatsu (2005). "Quantum criticality in ultracold atoms on optical lattices." Physics Status Solidi B 242: 1850.

Rigol, M., A. Muramatsu, et al. (2006). "Hard-core bosons on optical superlattices: Dynamics and relaxation in the superfluid and insulating regimes." Phys. Rev. A 74: 053616.

Rigol, M., A. Muramatsu, et al. (2004). "Quantum Monte Carlo study of confined fermions in one-dimensional optical lattices." Phys. Rev. A 69: 053612.

Rockstuhl, C., T. Zentgraf, et al. (2007). "The origin of magnetic polarizability in metamaterials at optical frequencies - an electrodynamic approach." Optics Express 15: 8871.

Rodriguez, K., S. R. Manmana, et al. (2006). "Coherent matter waves emerging from Mott-insulators." New Jour. Phys. 8: 169.

Rohlfing, M., R. Temirov, et al. (2007). "Adsorption structure and scanning tunneling data of a prototype organic-inorganic interface: PTCDA on Ag(111)." Phys. Rev. B 76: 115421.

Rohlfing, M., N.-P. Wang, et al. (2008). "Desorption force on hydrogen atoms from resonant excitations of the H:Si(001)-(2×1) surface." Surface Science 602: 3208.

Rohlfing, M., N.-P. Wang, et al. (2005). "Dynamics of excited electronic states at clean and adsorbate-covered insulator surfaces." Surf. Sci. 593: 19.

Scalas, E., E. Martin, et al. (2007). "Ehrenfest urn revisited: Playing the game on a realistic fluid model." Phys. Rev. E 76: 011104.

Scalettar, R. T., G. Batrouni, et al. (2005). "Equilibrium and dynamical properties of the Boson Hubbard model in one dimension." Jour. Low. Temp. Phys. 140: 313.

Schieback, C., M. Kläui, et al. (2007). "Numerical investigation of spin-torque using the Heisenberg model." Eur. Phys. J. B 59: 429.

Schilling, T., S. Jungblut, et al. (2007). "Depletion induced percolation in networks of nanorods." Phys. Rev. Lett. 98: 108303.

Schlichenmaier, C. (2005). Modeling of optical properties of semiconductor heterostructures. Marburg, Philipps Universität Marburg. Doktorarbeit.

Schmid, F. (2006). Coarse-grained models of complex fluids at equilibrium and under shear. Computer Simulations in Condensed Matter: from Materials to Chemical Biology p. 211. K. Binder, G. Cicotti and M. Ferrario. Berlin, Springer.

Schmid, F., D. Düchs, et al. (2003). Amphiphiles at Interfaces: Simulation of Structure and Phase Behavior. Computational Soft Matter: From Synthetic Polymers to Proteins.

Schmid, F., D. Düchs, et al. (2004). Amphiphiles at interfaces: simulation of structure and phase behavior. Computational Soft Matter: From Synthetic Polymers to Proteins, Jülich, NIC-Lecture Notes (Publication series of the John von Neumann Institute for Computing, vol. 23), p. 323-345.

Schmid, F., D. Düchs, et al. (2007). "A generic model for lipid monolayers, bilayers abd membranes." Comp. Phys. Comm. 177: 168.

Schmid, F., G. Germano, et al. (2007). "Fluctuating Interfaces in Liquid Crystals." Macromolecular Symposia 252: 101.

Schmid, F., G. Germano, et al. (2007). "Fluctuating interfaces in liquid crystals." Macromol. Symposia 252: 110.

Schmidt, B. and M. Fleischhauer (2007). "Exact numerical simulations of a one-dimensional, trapped Bose gas." Phys. Rev. A 75: 021601(R).

Schmidt, B., L. I. Plimak, et al. (2005). "Stochastic simulation of a finite-temperature one-dimensional Bose gas: From the Bogoliubov to the Tonks-Girardeau regime." Phys. Rev. A 71: 041601(R).

Schneider, H. C., W. W. Chow, et al. (2004). "Excitation-induced dephasing in semiconductor quantum dots." Phys. Rev. B 70: 235308.

Schneider, H. C., J. P. Wustenberg, et al. (2006). "Energy-resolved electron spin dynamics at surfaces of p-doped GaAs." Phys. Rev. B 73: 081302.

Schneider, J. J. and S. Kirkpatrick (2006). Stochastic Optimization, ISBN 3540345590. Berlin, Heidelberg, New York, Springer.

Schubert, G., A. Weiße, et al. (2005). "Localization effects in quantum percolation." Phys.Rev. B 71: 045126.

Schubert, G., A. Weiße, et al. (2005). Comparative numerical study of Anderson localization in disordered electron systems. High Performance Computing in Science and Engineering Garching, Springer-Verlag, Berlin, Heidelberg, New York.

Schulze, C. and D. Stauffer (2005). "Monte Carlo simulation of the rise and the fall of languages." Int. J. Mod. Phys. C 16: 781.

Sekiyama, A., H. Fujiwara, et al. (2004). "Mutual experimental and theoretical validation of bulk photoemission spectra of Sr1−xCaxVO3." Phys. Rev. Lett. 93: 156402.

Selke, W., M. Holtschneider, et al. (2008). Uniaxially anisotropic antiferromagnets in a field along the easy axis Computer Simulation Studies in Condensed Matter Physics XXI. D. P. Landau, S. P. Lewis and H. B. Schuttler, Springer-Verlag, Heidelberg, Berlin.

Shapran, L., M. Medebach, et al. (2005). "Qualitative characterisation of effective interactions of charged spheres on different levels of organisation using Alexander's renormalised charge as reference." Coll. Surf. A 270-271: 220.

Sindermann, A. (2005). Ground-State Properties of Two-Dimensional Frustrated Quantum-Spin Models. Köln, Universität zu Köln.

Sindermann, A., U. Löw, et al. (2006). "Ground state properties of two spin models with exactly known ground states on the square lattice." Int. J. Mod. Phys. C 17: 1085.

Skupin, S., O. Bang, et al. (2006). "Stability of twodimensional spatial solitons in nonlocal nonlinear media." Phys. Rev. E 73: 066603.

Skupin, S. and L. Bergé (2006). "Self-guiding of femtosecond light pulses in condensed media: Plasma generation versus chromatic dispersion." Physica D 220: 14.

Skupin, S. and L. Bergé (2007). "Supercontinuum generation of ultrashort laser pulses in air at different central wavelengths." Opt. Commun. 280: 173.

Skupin, S., L. Bergé, et al. (2004). "Interaction of femtosecond light filaments with obscurants in aerosols." Phys. Rev. Lett. 93: 023901.

Skupin, S., L. Bergé, et al. (2004). "Filamentation of femtosecond light pulses in the air: Turbulent cells versus long-range clusters." Phys. Rev. E 70: 046602.

Skupin, S., G. Stibenz, et al. (2006). "Self-compression by femtosecond pulse filamentation: Experiments versus Numerical Simulations." Phys. Rev. E 74: 056604.

Smiatek, J., M. Sega, et al. (2009). "Mesoscopic simulations of the counterion-induced electroosmotic flow in nanochannels - a comparative study." J. Chem. Phys. in press.

Stauffer, D., A. Kunwar, et al. (2005). "Evolutionary ecology in-silico: evolving foodwebs, migrating population and speciation." Physica A 352: 202.

Stepanyuk, V. S., P. Bruno, et al. (2004). "Strucure and quantum effects in atomic-sized contacts." Phys. Rev. B 69: 033302.

Stepanyuk, V. S., A. L. Klavsyuk, et al. (2004). "Magnetism and structure of atomic-sized nanocontacts." Phys. Rev. B 70: 195420.

Stepanyuk, V. S., A. L. Klavsyuk, et al. (2005). "Ab initio approach for atomic relaxation in supported magnetic clusters." Phase Transitions 78: 61.

Stepanyuk, V. S., L. Niebergall, et al. (2005). "Ab initio study of mirages and magnetic interactions in quantum corrals." Phys. Rev. Lett. 94: 187201.

Stepanyuk, V. S., L. Niebergall, et al. (2004). "Magnetic nanostructures stabilized by surface-state electrons." Phys. Rev. B 70: 075414.

Stillings, C., E. Martin, et al. (2007). "Nanoscaled discotic liquid crystal/polymer systems: Confinement effects on morphology and thermodynamics." Mol. Cryst. Liq. Cryst. accepted.

Succi, S., A. A. Mohammad, et al. (2007). "Lattice-Boltzmann simulation of dense nanoflows: A comparison with Molecular Dynamics and Navier-Stokes solutions." Int. J. Mod. Phys. C 18: 667.

Sykora, S., A. Hübsch, et al. (2005). "Single-particle excitations and soft phonon mode in the one-dimensional Holstein model." Phys. Rev. B 71: 045112.

Szotek, Z., W. M. Temmerman, et al. (2004). "Electronic structure of half-metallic ferromagnets and spinel ferromagnetic insulators." J. Phys. Condens. Matter 16: 5587-5600.

Temirov, R., A. Lassise, et al. (2008). "Kondo effect by controlled cleavage of a single molecule contact." Nanotechnology 19: 065401.

Thränhardt, A., T. Meier, et al. (2006). "Microscopic Modeling of the Optical Properties of Semiconductor Nanostructures." Journal of Non-Crystalline Solids 352: 2480-2483.

Tiggemann, D. (2004). "New Results for the Dynamical Critical Behavior of the Two-Dimensional Ising Model." Int. J. Mod. Phys. C 15: 1069.

Tikhonenkov, I., E. Pazy, et al. (2006). "Many-body effects on adiabatic passage through Feshbach resonances." Phys. Rev. A 71: 043605.

Tornow, S., R. Bulla, et al. (2008). "Dissipative Two-Electron Transfer: A numerical renormalization group study." Phys. Rev. B 78: 035434.

Tossell, J. A. and J. Horbach (2005). "O triclusters revisited: Classical MD and quantum cluster results for glasses of composition (Al2O3)2(SiO2)." J. Phys. Chem. B 109: 1794.

Trukhina, Y. and T. Schilling (2008). "A computer simulation study of a liquid crystal confined to a spherical cavity." Phys. Rev. E 77: 011701.

Tscheliessnig, R., W. Billes, et al. (2005). "Adsorption of benzene from an aqueous solution." Mol. Sim. 31: 661.

Tscheliessnig, R., L. Geyrhofer, et al. (2008). "Adsorption from oversaturated aqueous solution: Mean force molecular simulations." AIChE Journal in press.

Vink, R., S. Wolfsheimer, et al. (2005). "Isotropic-nematic interfacial tension of hard and soft rods: application of advanced grand canonical biased sampling techniques." J. Chem. Phys. 123: 074901.

Vink, R. L. C. (2004). Computer Simulation Studies in Condensed Matter Physics XVIII, Springer Verlag, Heidelberg, Berlin.

Vink, R. L. C., K. Binder, et al. (2006). "Critical behavior of a colloid-polymer mixture confined between walls." Phys. Rev. E 73: 056118.

Vink, R. L. C. and J. Horbach (2004). "Critical Behaviour and Interfacial Fluctuations in a Phase-Separating Model Colloid-Polymer Mixture: Grand Canonical Monte Carlo Simulations." J. Phys: Cond. Mat. 16: S3807.

Vink, R. L. C. and J. Horbach (2004). "Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: Coexistence line, critical behavior, and interfacial tension." J. Chem. Phys. 121: 3253.

Vink, R. L. C., J. Horbach, et al. (2005). "Capillary Waves in a Colloid-Polymer Interface." J. Chem. Phys. 122: 134905.

Vink, R. L. C., J. Horbach, et al. (2005). "Critical Phenomena in Colloid-Polymer Mixtures: Interfacial Tension, Order Parameter, Susceptibility and Coexistence Diameter." Phys. Rev. E 71: 011401.

Vink, R. L. C. and T. Schilling (2005). "Interfacial tension of the isotropic-nematic interface in suspensions of soft spherocylinders." Phys. Rev. E 71: 051716.

Vink, R. L. C. and M. Schmidt (2005). "Simulation and theory of fluid demixing and interfacial tension of mixtures of colloids and non-ideal polymers." Phys. Rev. E 71: 051406.

Vink, R. L. C., A. D. Virgiliis, et al. (2006). "Phase diagram and structure of colloid-polymer mixtures confined between walls." Phys. Rev. E 74: 031601.

Virgilii, A. D., R. L. C. Vink, et al. (2007). "Colloid-Polymer Mixtures Confined Between Asymmetric Walls: Simulation Evidence for an Interface Localization Transition." Europhys. Lett. 77: 60002.

Voigtmann, T. and J. Horbach (2006). "Slow Synamics in Ion-Conducting Sodium Silicate Melts: Simulation and Mode-Coupling Theory." Europhys. Lett. 74: 459.

Vollhardt, D., K. Held, et al. (2005). "Dynamical mean-field theory and its applications to real materials." J. Phys. Soc. Jap. 74: 136.

Wang, N.-P., M. Rohlfing, et al. (2006). "Electronic excitations of the H:Si(001)-(2×1) monohydride surface: First-principles calculations." Phys. Rev. B 74: 155405.

Weigel, M. and M. J. P. Gingras (2008). "Zero-temperature phase of the XY spin glass in two dimensions: Genetic embedded matching heuristic." Phys. Rev. B 77: 104437.

Weigel, M. and W. Janke (2009). "Cross Correlations in Scaling Aanalyses of Phase Transitions." Phys. Rev. Lett. 102: 100601.

Weinhard, L., O. Fuchs, et al. (2007). "Resonant inelastic soft x-ray scattering of CdS." Phys. Rev. B 75: 165207.

Weinhardt, L., O. Fuchs, et al. (2007). "Resonant inelastic soft x-ray scattering, x-ray absorption spectroscopy, and density functional theory calculations of the electronic bulk band structure of CdS." Phys. Rev. B 75: 165207.

Weinhold, M., S. Soubatch, et al. (2007). "Structure and Bonding of the Multifunctional Amino Acid L-DOPA on Au(110)." J. Phys. Chem. B 110: 23756.

Weiße, A. and H. Fehske (2004). "Lattice and superexchange effects in doped CMR manganites." J. Magn. Magn. Mater 272-276: 92-93.

Weiße, A. and H. Fehske (2004). "Microscopic modelling of doped manganites." New Journal of Physics 6: 158.

Wenzel, S., E. Bittner, et al. (2007). "Percolation of Vortices in the Abelian Lattice Higgs Model." Nucl. Phys. B in press: arXiv:0708.0903.

Wenzel, S., L. Bogacz, et al. (2007). "Critical Point in the J-J' Quantum-Dimer Model." Leipzig preprint (November 2007).

Wessel, S. (2005). "Comment "Quantum Spins and Quasiperiodicity: A Real Space Renormalization Group Approach"." Phys. Rev. Lett. 94: 029701.

Wessel, S. (2006). Quantum Monte Carlo studies of strongly correlated systems. Stuttgart, Universität Stuttgart. Habilitationsschrift.

Wessel, S. (2007). "Phase Diagram of Interacting Bosons on the Honeycomb Lattice." Phys. Rev. B 75: 174301.

Wessel, S. (2008). "Mixed columnar-plaquette phase of hard-core bosons and its quantum melting." Phys. Rev. B 78: 075112.

Wessel, S., F. Alet, et al. (2004). "Quantum Monte Carlo simulations of confined bosonic atoms in optical lattices." Adv. Solid State Phys. 44: 265.

Wessel, S., F. Alet, et al. (2005). "Bosons in Optical Lattices - from the Mott-Transition to the Tonks-Girardeau Gas." J. Phys. Soc. Jpn. Suppl. 74: 10.

Wessel, S., F. Alet, et al. (2004). "Quantum Monte Carlo simulations of confined bosonic atoms in optical lattices." Phys. Rev. A 70: 053615.

Wessel, S. and I. Milat (2005). "Quantum fluctuations and excitations in antiferromagnetic quasicrystals." Phys. Rev. B 71: 104427.

Wessel, S. and I. Milat (2005). "Quantum fluctuations and excitations in antiferromagnetic quasicrystals." Phys. Rev. B 71: 104427.

Wessel, S., N. Stoop, et al. (2007). "Optimized Broad-Histogram Ensembles for the Simulation of Quantum Systems." J. Stat. Mech. P12005.

Wessel, S., S. Trebst, et al. (2005). "A RENORMALIZATION APPROACH TO THE SIMULATION OF QUANTUM EFFECTS IN NANO-SCALE MAGNETIC SYSTEMS." SIAM Multiscale Modeling and Simulation Journal 4: 237.

Wessel, S. and M. Troyer (2005). "Supersolid Hard-Core Bosons on the Triangular Lattice." Phys. Rev. Lett. 95: 127205.

West, B., F. L. H. Brown, et al. (2009). "Membrane-protein interactions in a generic coarse-grained model for lipid bilayers." Biophysical Journal 96: 101.

Winkler, A., J. Horbach, et al. (2004). "Structure and diffusion in amorphous aluminium silicate: A molecular dynamics computer simulation." J. Chem. Phys. 120: 384-393.

Wolf, B., S. Zherlitsyn, et al. (2004). "Low-dimensional quantum spin systems in pulsed magnetic field." Physica B 346-347: 19.

Wolf, B., S. Zherlitsyn, et al. (2004). "Acoustic and magnetic anomalies near the saturation field of the S = 1/2 antiferromagnetic Heisenberg chain studied on a Cu(II) coordination polymer." Phys. Rev. B 69: 092403.

Wolfsheimer, S., C. Tanase, et al. (2006). "The isotropic-nematic interface in suspensions of hard rods: Mean-field properties and capillary waves." Phys. Rev. E 73: 061703.

Zentgraf, T., T. P. Meyrath, et al. (2007). "Babinet's principle for optical frequency metamaterials and nanoantennas." Phys. Rev. B 76: 033407.

Zhang, T., I. Kuznetsova, et al. (2007). "Polarization-dependent Optical Two-Dimensional Fourier Transform Spectroscopy of Semiconductors." Proc. Natl. Acad. Sci. USA 104: 14227-14232.

Materialwissenschaft (195)

Aradi, B., L. E. Ramos, et al. (2007). "Theoretical study of the chemical gap tuning in silicon nanowires." Phys. Rev. B 76: 035305.

Awazu, K., M. Fujimaki, et al. (2008). "A plasmonic photocatalyst consisting of silver nanoparticles embedded in titanium dioxide." Journal of the American Chemical Society 130: 1676-1680.

Baer, N., P. Gartner, et al. (2004). "Coulomb effects in semiconductor quantum dots." Eur. Phys. J. B 42: 231.

Baer, N., C. Gies, et al. (2006). "Luminescence of a semiconductor quantum dot system." Eur. Phys. J. B 71: 411.

Baer, N., S. Schulz, et al. (2005). "Optical properties of self-organized wurtzite InN/GaN quantum dots: A combined atomistic tight-binding and full configuration interaction calculation." Appl. Phys. Lett. 87: 231114.

Baer, N., J. Wiersig, et al. (2004). Optical properties of semiconductor quantum dots and pillar microcavities. 26th International Conference on the Physics of Semiconductors (ICPS), Flagstaff.

Bechstedt, F., H.-Ch.Weissker, et al. (2004). "Electronic excitations in Si and Ge nanocrystals: Parameterfree calculations." phys. stat. sol. (c) 1: 163.

Bechstedt, F., H.-Ch.Weissker, et al. (2004). Optical properties of Si and Ge nanocrystals. 3rd International Conference on Computational Modeling and Simulation of Materials, Acireale (CT), Sicily, Italy.

Benyoucef, M., S. M. Ulrich, et al. (2004). "Enhanced correlated photon pair emission from a pillar microcavity." New Journal of Physics 6: 91.

Benyoucef, M., S. M. Ulrich, et al. (2005). "Correlated photon pairs from single (In,Ga)As/GaAs quantum dots in pillar microcavities." Journal of Appl. Physics 97: 023101.

Bucek, P. (2008). Spin dynamics of complex itinerant magnets. Halle, Universität Halle. PhD.

Buck, M., L. Wischmeier, et al. (2004). "Light-polarization and intensity dependence of higher-order nonlinearities in excitonic FWM signals." Eur. Phys. J. B 42: 175.

Büsgen, T., J. Feydt, et al. (2004). "Ab-initio study of the Heusler alloy Ni50Mnx Al50-x and modulated martensitic structures." Phys. Rev. B 70: 014111.

Dabrowski, J., A. Fleszar, et al. (2005). "Atomic-scale properties of high-k dielectrics: ab initio study for Pr-based materials." Adv. Solid State Phys. 45: 339.

Dabrowski, J., A. Fleszar, et al. (2006). Charge traps in high-k dielectrics: ab initio study of defects in Pr-based materials. Rare earth oxide thin films: growth, characterization, and applications, p. 247. M. Fanciulli and G. Scarel, Springer: Topics in Applied Physics.

Dabrowski, J., A. Fleszar, et al. (2006). "Ab initio study of point defects in dielectrics based on Pr oxides." Mat. Sci. Semicond. Processing 9: 897.

Dabrowski, J., S. Miyazaki, et al. (2009). Electrical Properties of High-K Materials." In "Advances in Electronic Materials. Trans Tech Publications. Materials Science Forum 608: 55. ed:, E. Kasper, H.-J. Müssig and H. Grimmeiss.

Däne, M. (2007). Beschreibung der elektronischen Struktur korrelierter Systeme mittels lokaler Selbstwechselwirkungskorrekturen im Rahmen der Vielfachstreutheorie. Halle, Universität Halle. PhD.

Däne, M., M. Lüders, et al. (2009). "Self-interaction correction in multiple scattering theory: application to transition metal oxides." J. Phys. Condens. Matter 21: 045604.

Enkovaara, J., A. Ayuela, et al. (2004). "Magnetically driven shape memory alloys." Mater Sci. Eng. A 378: 52.

Entel, P., W. A. Adeagbo, et al. (2006). Supercomputer Based ab initio Investigations of Martensitically Transforming Alloys. NIC Symposium 2006, Jülich, NIC.

Entel, P., V. D. Buchelnikov, et al. (2006). "Modelling the phase diagram of magnetic shape memory Heusler alloys." J. Phys. D: Appl. Phys. 39: 865.

Entel, P. and M. E. Gruner (2008). "Large-scale ab initio simulations of binary transition metal clusters for storage media materials." J. Phys.: Condens. Matter accepted.

Entel, P., M. E. Gruner, et al. (2007). "Ab initio modeling of martensitic transformations (MT) in magnetic shape memory alloys." J. Magn. Magn. Mater. 310: 2761.

Entel, P., M. E. Gruner, et al. (2007). "Magnetic field-induced changes in magnetic shape memory alloys." Mater. Sci. Eng. A 481-482: 258.

Entel, P., M. E. Gruner, et al. (2008). Simulating structure, magnetism and electronic properties of monoatomic, binary and ternary transition metal nanoclusters. MESOSCOPIC, NANOSCOPIC AND MACROSCOPIC MATERIALS: Proceedings of the International Workshop on Mesoscopic, Nanoscopic and

Macroscopic Materials (IWMNMM-2008), , AIP Conference Proceedings: 1663, 3.

Entel, P., M. E. Gruner, et al. (2008). "First-principles investigations of multimetallic transition metal clusters." Phil. Mag. in print: DOI:10.1080/14786430802398040.

Fischer, G., M. Däne, et al. (2010). "Exchange Coupling in Transition Metal Monoxides." Phys. Rev. B submitted.

Fleszar, A. and W. Hanke (2005). "Electronic structure of II^B-VI semiconductors in the GW approximation." Phys. Rev. B 71: 045207.

Fleszar, A., W. Hanke, et al. (2007). "Angle-resolved photoemission on ZnSe(001): Determination of conduction-band quasiparticle shifts." Phys. stat. sol. (c) 4: 3204.

Gao, C. L., A. Ernst, et al. (2008). "Spin Wave dispersion on the Nanometer Scale." Phys. Rev. Lett. 101: 167201.

Gartner, P., J. Seebeck, et al. (2006). "Relaxation properties of the quantum kinetics of carrier-LO-phonon interaction in quantum wells and quantum dots." Phys. Rev. B 73: 115307.

Gies, C., J. Wiersig, et al. (2007). "Semiconductor model for quantum-dot-based microcavity lasers." Phys. Rev. A 75: 013803.

Gruner, M. E. (2008). "Antiferromagnetism and segregation in cuboctahedral FePt nanoparticles." J. Phys. D: Appl. Phys. 41: 134015.

Gruner, M. E., W. A. Adeagbo, et al. (2008). "nfluence of magnetism on the structural stability of cubic L21 Ni2MnGa." Eur. Phys. J.: Special Topics 158: 193.

Gruner, M. E. and P. Entel (2007). "Ab Initio Simulations of Functional Magnetic Materials." InSiDE - Innovatives Supercomputing in Deutschland 5(2): 34.

Gruner, M. E. and P. Entel (2008). "Simulating functional magnetic materials on supercomputers." Psi-k Newsletter 89: 36.

Gruner, M. E., P. Entel, et al. (2008). "Ab initio investigation of twin boundary motion in the magnetic shape memory Heusler alloy Ni2MnGa." J. Mater. Sci. 43: 3825.

Gruner, M. E., G. Rollmann, et al. (2008). Large-Scale First-Principles Calculations of Magnetic Nanoparticles. NIC Symosium 2008, Jülich, John von Neumann Institute for Computing.

Gruner, M. E., G. Rollmann, et al. (2008). "Multiply Twinned Morphologies of FePt and CoPt Nanoparticles." Phys. Rev. Lett. 100: 087203.

Gruner, M. E., G. Rollmann, et al. (2006). "Massively Parallel Density Functional Theory Calculations of Large Transition Metal Clusters." Lecture Series on Computer and Computational Sciences 7: 173.

Gruner, M. E., G. Rollmann, et al. (2008). Structural and Magnetic Properties of Transition Metal Nanoparticles from First Principles. Advances in Solid State Physics, Vol. 47, p. 117. R. Haug. Berlin, Springer.

Gruner, M. E., G. Rollmann, et al. (2006). "Magnetism of close packed Fe_147 clusters." Phase Transitions 79: 701.

Häkkinen, H. and M. Moseler (2006). "55-atom clusters of silver and gold: Symmetry breaking by relativistic effects." Comput. Mater. Sci. 35: 332-336.

Häkkinen, H., M. Moseler, et al. (2004). "Symmetry and Electronic Structure of Noble-Metal Nanoparticles and the Role of Relativity." Phys. Rev. Lett. 93: 093401.

Hallermann, F., C. Rockstuhl, et al. (2008). "On the use of localized plasmon polaritons in solar cells." Phys. Stat. Sol. (a) 205 2844.

Huber, B. (2007). Dichtefunktionalstudie der strukturellen und katalytischen Eigenschaften freier und geträgerter Metallnanocluster. Freiburg, Universität Freiburg. Doktorarbeit.

Huber, B., H. Häkkinen, et al. (2006). "Oxidation of small gas phase Pd clusters: A density functional study." Comput. Mater. Sci. 35: 371-374.

Huber, B., P. Koskinen, et al. (2006). "Oxidation of Pd-clusters leads to the ultimate limit of epitaxy with a catalytic function." Nature Materials 5: 44-47.

Huber, B. and M. Moseler (2007). "Predicting experimental signatures for the oxidation of magnesia supported palladium clusters by density functional theory." Euro. Phys. J. D 45: 485.

Hughes, I. D., M. Däne, et al. (2007). "Lanthanide contraction and magnetism in the heavy rare earth elements." Nature 446: 650.

Hughes, I. D., M. Däne, et al. (2008). "Onset of Magnetic Order in Strongly-Correlated Systems from ab initio Electronic Structure Calculations: Application to Transition Metal Oxides." New J. Phys. 10: 063010.

Jahnke, F., J. Seebeck, et al. (2004). Quantum kinetics of phononassisted carrier transitions in semiconductor quantum dots. 26th International Conference on the Physics of Semiconductors (ICPS), Flagstaff.

Kissinger, G. and J. Dabrowski (2006). "Oxide Precipitation via Coherent 'Seed'-Oxide Phases." ECS Trans 3: 247.

Kissinger, G., J. Dabrowski, et al. (2007). "Analytical Modeling of the Interaction of Vacancies and Oxygen for Oxide Precipitation in RTA Treated Silicon Wafers." J. Electrochem. Soc. 154: H454.

Kissinger, G., J. Dabrowski, et al. (2007). Modeling of Oxide Precipitate Nucleation in Silicon Using Ab-initio Calculations and Classical Nu-cleation Theory. Proceedings of the Forum on the Science and Technology of Silicon Materials 2007: 81.

Kissinger, G., J. Dabrowski, et al. (2008). "Two Paths of Oxide Precipitate Nucleation in Silicon." Solid State Phenomena 293: 131-133.

Kissinger, G., J. Dabrowski, et al. (2006). "Analytical Modeling of the Interaction of Vacancies and Oxygen for Oxide Precipitation in RTA Treated Silicon Wafers." ECS Trans 2: 247.

Kissinger, G., A. Sattler, et al. (2007). "Verification of a Method to Detect Grown-in Oxide Precipitate Nuclei in Czochralski Silicon." ECS Transactions 11: 161.

Klobes, B., T. E. M. Staab, et al. (2008). "Early stages of decomposition in Al alloys investigated by X-ray absorption." phys.stat.sol (RRL) 2: 182-184.

Kohlbach, I. (2007). Die Rolle von Leerstellen bei der Ausscheidungsbildung von Al-Cu-Legierungen. Bonn, Buniversität Bonn. Diplomarbeit.

Kohlbach, I., B. Korff, et al. (2009). "Pre-Guinier-Preston Zones in AlCu Alloys constructed from ab-initio Relaxed Atomic Positions -- comparison to experimental Methods." phys. stat. sol. (a) submitted.

Koskinen, P., H. Häkkinen, et al. (2007). "Liquid-liquid phase coexistence in gold clusters: 2D or not 2D?" Phys. Rev. Lett. 98: 015701.

Koskinen, P., H. Häkkinen, et al. (2006). "Density-functional based tight-binding study of small gold clusters." New J. Phys. 8: 9.

Kostko, O., B. Huber, et al. (2007). "Structure Determination of Medium-Sized Sodium Clusters." Phys. Rev. Lett. 98: 043401.

Kotakoski, J. and K. Albe (2008). "First-principles calculations on solid nitrogen: A comparative study of high-pressure phases." Phys. Rev. B 77: 144109.

Krüger, P., B. Baumeier, et al. (2008). "First-principles investigation of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface." Phys. Rev. B 77: 085329.

Krüger, P. and J. Pollmann (2006). "Generalized reconstruction model of SiC(001)-(n×2) surfaces and Si addimer nanostrings." Phys. Rev. B 73: 035327.

Kudyk, I., T. Voss, et al. (2006). "Optical coherent manipulation of polariton modes and of their radiative decay." Phys. Rev. B 73: 235345.

Kühn, M. (2008). Numerische Simulation dielektrischer und ferroelektrischer Materialeigenschaften basierend auf lokalen Feldberechnungen und einem stochastisch-dynamischen Monte Carlo-Algorithmus. Saarbrücken, Universität des Saarlandes. Doktorarbeit.

Kühn, M., S. Holten, et al. (2007). Considerations on the origin of the Kohlrausch behaviour. ISCD 2007, Winchester.

Kühn, M. and H. Kliem (2004). Simulating solid dielectrics using Monte-Carlo methods, p. 554. ICSD, Toulouse.

Kühn, M. and H. Kliem (2005). "Simulation of heterogeneous nanodielectrics using the local field method." IEEE Transactions on Dielectrics and Electrical Insulation 12: 844.

Kühn, M. and H. Kliem (2007). "Microscopic versus macroscopic calculation of nanodielectric spheres." Electrostatics Abstract Book 12: 20.

Kühn, M. and H. Kliem (2007). Monte-Carlo simulations of ferroelectric properties for PVDF polymers and BaTiO3 crystals. EMF 11 Book of Abstracts.

Kühn, M. and H. Kliem (2007). "Time variance of interacting dipole systems." phys. stat. sol. (b) 244: 1418.

Kühn, M. and H. Kliem (2008). "Investigations on ferroelectric properties of P(VDF/TrFE) and BaTiO3 by local field and Monte Carlo computations." Verhandlg. DPG(VI) 43: DF 11.7.

Kühn, M. and H. Kliem (2008). "Microscopic versus macroscopic calculation of dielectric nanospheres." J. Electrostatics accepted.

Kühn, M. and H. Kliem (2008). "Monte Carlo simulations of ferroelectric properties based on a microscopic model for PVDF." phys. stat. sol. (b) 245: 213.

Kühn, M. and H. Kliem (2008). "Monte-Carlo simulations of ferroelectric properties for PVDF and BaTiO3." Ferroelectrics accepted.

Labayen, M., C. Ramirez, et al. (2003). "Quasi-collective motion of nanoscale metal strings in metal surfaces." Nature Materials 2: 783.

Lazo, C., V. Caciuc, et al. (2008). "On the role of tip size, orientation and relaxations in first-principles simulations of spin-sensitive scanning probe microscopies." Phys. Rev. B 78: 214416.

Lazo, C., H. Hölscher, et al. (2009). First-principles Simulation of Magnetic Exchange Force Microscopy on Fe/W(001). NC-AFM Vol. II.

Lippert, G., J. Dabrowski, et al. (2008). "Morphology and Composition of Selected High-k Materials and Their Relevance for Dielectric Properties of Thin Films." J. Electrochem. Soc. 155: G97.

Lippert, G., J. Dabrowski, et al. (2007). "Morphology and Composition of Selected High-k Materials and Their Relevance for Dielectric Properties of Thin Films." ECS Trans 6: 773.

Lippert, G., J. Dabrowski, et al. (2004). "Deposition Conditions and Post Deposition Treatment of Pr and La Oxide Gate Dielectrics: Effect on Interface, Leakage, and Si Content." Proc ECS 4: 115.

Lippert, G., J. Dabrowski, et al. (2005). "Si Segregation into Pr2O3 and La2O3 high-K gate oxides." Appl. Phys. Lett. 86: 042902.

Lohmeyer, H., K. Sebald, et al. (2005). "Resonant modes in monolithic nitride pillar microcavities." Eur. Phys. Journal B 48: 291.

Lohmeyer, H., K. Sebald, et al. (2006). "Confined optical modes in monolithic II-VI pillar microcavities." Appl. Phys. Lett. 88: 051101.

López-Lozano, X., A. A. Stekolnikov, et al. (2005). "Properties of electron gas in In chains on Si(111)." Surf. Sci. Accepted.

López-Lozano, X., A. A. Stekolnikov, et al. (2005). "Reconstruction of quasi-1D In/Si(111) systems: Electronic states, charge and spin density waves versus bonding." Phys. Rev. B submitted.

Lorke, M., W. W. Chow, et al. (2006). "Anomaly in the excitation dependence of the optical gain of semiconductor quantum dots." Phys. Rev. B 74: 035334.

Lorke, M., F. Jahnke, et al. (2007). "Excitation Dependence of Gain and Carrier Induced Refractive Index Changes in Quantum Dots." Appl. Phys. Lett. 90: 051112

Lorke, M., T. R. Nielsen, et al. (2006). "Influence of carrier-carrier and carrier-phonon correlations on optical absorption and gain in quantum-dot systems." Phys. Rev. B 73: 085324.

Lukosius, M., C. Wenger, et al. (2007). "Atomic-Vapor-Deposited HfO2 and Sr4Ta2O9 Layers for Metal-Insulator-Metal Applications." Microelectronic Engineering 84: 2165.

Lupina, G., J. Dabrowski, et al. (2004). "Solid state reaction between Pr and SiO2 studied by photoelectron spectroscopy and ab initio calculations." Materials Science in Semiconductor Processing 7: 215.

Lupina, G., G. Kozlowski, et al. (2008). "Dielectric and structural properties of thin SrHfO3 layers on TiN." Appl. Phys. Lett. 93: 252907.

Lupina, G., G. Kozlowski, et al. (2008). "Thin BaHfO3 high-k dielectric layers on TiN for memory capacitor applications." Appl. Phys. Lett. 92: 062906.

Lupina, G., T. Schroeder, et al. (2005). "Preparation of praseodymium silicate dielectrics with an atomically abrupt interface on Si(100)." Appl. Phys. Lett. 87: 092901.

Lupina, G., T. Schroeder, et al. (2006). "Praseodymium silicate films on Si(100) for gate dielectric applications: spectroscopic and electrical characterization." J. Appl. Phys. 99: 114109.

Lupina, G., T. Schroeder, et al. (2006). "Thermal stability of Pr silicate high-k layers on Si(001)." Appl. Phys. Lett. 89: 222909.

Ma, Y., A. R. Oganov, et al. (2009). "Novel High Pressure Structures of Polymeric Nitrogen." Phys. Rev. Lett. 102: 065501.

Menzel, C., C. Rockstuhl, et al. (2008). "Retrieving effective parameters for metamaterials at oblique incidence." Phys. Rev. B 77: 195328.

Mundt, M., S. Kummel, et al. (2006). "Relating photoelectron spectra to Kohn-Sham eigenvalues for sodium clusters." Phys. Rev. B 73: 205407.

Nielsen, T. R. (2005). Mikroskopische Beschreibung elektronischer Streuprozesse in Halbleiter-Quantenpunkten. Bremen, Universität Bremen. Doktorarbeit.

Nielsen, T. R., P. Gartner, et al. (2004). "Many-body theory of carrier capture and relaxation in semiconductor quantum-dot lasers." Phys. Rev. B 69: 235314.

Nielsen, T. R., P. Gartner, et al. (2004). Many-body theory of carrier capture and relaxation in semiconductor quantum-dot lasers. Quantum Electronics and Laser Science Conference (QELS), San Francisco, USA.

Nielsen, T. R., P. Gartner, et al. (2005). "Coulomb scattering in nitride based self-assembled quantum-dot systems." Phys. Rev. B 72: 235311.

Ostanin, S., A. Ernst, et al. (2007). "Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T_C Ferromagnetic Spintronics Material." Phys. Rev. Lett. 98: 016101.

Peng, X., P. Krüger, et al. (2005). "Metallization of the 3C-SiC(001)-(3×2) surface induced by hydrogen adsorption: A first-principles investigation." Phys. Rev. B 72: 245320.

Peng, X., P. Krüger, et al. (2006). "Hydrogen-induced metallization of the 3C-SiC(001)-(3×2) surface." Surf. Sci. 600: 3564.

Peng, X., P. Krüger, et al. (2007). "Hydrogenated SiC(001)-(3x2) surface: Semiconducting and metallic structures." Phys. Rev. B 76: 125303.

Peng, X., P. Krüger, et al. (2007). "Why H2 Molecules Adsorb on SiC(001)-c(4×2) and Not on SiC(001)-(3×2) at Room Temperature?" Phys. Rev. B 75: 073409.

Peng, X., P. Krüger, et al. (2008). "Adsorption processes of hydrogen molecules on SiC(001), Si(001) and C(001) surfaces." New Journal of Physics 10: 125028.

Peng, X., J. Wieferink, et al. (2006). Structural and Electronic Properties of Clean and Adsorbate-Covered (001) Surfaces of Cubic SiC. NIC Symposium 2006, Jülich, NIC.

Pollmann, J. and P. Krüger (2004). "Reconstruction of cubic SiC surfaces." J. Phys.: Condens. Matter 16: S1659-S1703.

Ramirez, C., R. Adelung, et al. (2005). "Lithium adsorption by TiSe2 of varying concentration via density functional theory." Phys. Rev. B 71: 035426.

Ramos, L. E., E. Degoli, et al. (2007). "Structural features and electronic properties of group-III, group-IV, and group-V doped Si nanocrystallites." J. Phys. C: Condens. Matt. accepted.

Ramos, L. E., J. Furthmüller, et al. (2004). "Effect of backbond oxidation on silicon nanocrystallites." Phys. Rev. B 70: 033311.

Ramos, L. E., J. Furthmüller, et al. (2004). "Quasiparticle band structures and optical spectra of beta-cristobalite SiO2." Phys. Rev. B 69: 085102.

Ramos, L. E., J. Furthmüller, et al. (2005). Electronic and optical properties of Si-capped and Ge-capped crystallites p. 66. Physics, Chemistry And Application of Nanostructures: Reviews And Short Notes to Nanomeeting 2005, Minsk, World Scientific.

Ramos, L. E., J. Furthmüller, et al. (2005). "Influence of oxygen on optical properties of Si nanocrystallites." Applied Physics Letters 87: 143113.

Ramos, L. E., J. Furthmüller, et al. (2005). "Quantum confinement in Si and Ge capped nanocrystallites." Phys. Rev. B. 72: 045351.

Ramos, L. E., J. Furthmüller, et al. (2005). "Reduced influence of defects on oxidized Si nanocrystallites." Phys. Rev. B 71: 035328.

Ramos, L. E., H.-C. Weissker, et al. (2005). "Optical properties of Si and Ge nanocrystals: Parameter-free calculations." phys. stat. sol. (b) 242: 3053.

Röbel, M. (2005). Ab-initio Untersuchungen an Aluminium, seinen Defekten und Aluminium-Legierungen. FB Physik. Bonn, Universität Bonn. Doktorarbeit.

Röbel, M., T. E. M. Staab, et al. (2008). "Hydrogen Incorporation to Vacancies in Aluminum: Masked or Marked for Positron Annihilation?" phys. stat. sol. (a) in Vorbereitung

Rockstuhl, C., S. Fahr, et al. (2008). "Absorption enhancement in solar cells by localized plasmon polaritons." Journal of Applied Physics 104: 123102.

Rockstuhl, C. and F. Lederer (2007). "Negative-index metamaterials from nanoapertures." Phys. Rev. B 76: 125426.

Rockstuhl, C., C. Menzel, et al. (2008). "Optical activity in chiral media composed of three-dimensional metallic meta-atoms." Phys. Rev. B 79: 035321.

Rockstuhl, C., C. Menzel, et al. (2008). "Light propagation in a fishnet metamaterial." Phys. Rev. B 78: 155102.

Rockstuhl, C., T. Paul, et al. (2008). "Investigating the transition from thin film to bulk properties of metamaterials." Phys. Rev. B 77: 035126.

Rockstuhl, C., T. Zentgraf, et al. (2008). "Resonances in complementary metamaterials and nanoapertures." Optics Express 16: 2080.

Rollmann, G., M. E. Gruner, et al. (2007). "Shell-wise Mackay transformation in iron nano-clusters." Phys. Rev. Lett. 99: 083402.

Rollmann, G., S. Sahoo, et al. (2008). "Magnetism and chemical ordering in binary transition metal clusters." Phys. Rev. B 78: 134404.

Schaefer, A., T. Schroeder, et al. (2007). "Heteroepitaxial praseodymium sesquioxide films on Si(111): A new model catalyst system for praseodymium oxide based catalysts." Surf. Sci. 601: 1473.

Schattke, W. and C.Ramirez (2004). Ab Initio Study of Alkali Atoms Intercalation in Transition Metal Dichalcogenides. NIC Symposium 2004, Jülich.

Schmeißer, D., H.-J. Muessig, et al. (2005). "Silicate Layer Formation at Pr2O3/Si(001) Interfaces." Appl. Phys. Lett. 85: 88.

Schmidt, R., C. Lazo, et al. (2009). "Probing the magnetic exchange forces of iron on the atomic scale." Nano Letters 9: 200.

Schroeder, T., T.-L. Lee, et al. (2005). "Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111)." J. Appl. Phys. 97: 074906.

Schroeder, T., G. Lupina, et al. (2005). "Titanium added praseodymium silicate layers on Si(001) for high-K dielectrics applications." Appl. Phys. Lett. 87: 022902.

Schroeder, T., P. Zaumseil, et al. (2006). "On the epitaxy of twin-free cubic (111) praseodymium sesquioxide films on Si(111)." J. Appl. Phys. 99: 014101.

Schulz, S., N. Baer, et al. (2006). "Microscopic tight-binding description for electronic and optical properties of InN/GaN quantum dots." phys. stat. sol. (c) 3: 3827.

Schulz, S. and G. Czycholl (2005). Electronic states in nitride semiconductor quantum dots: A tightbinding approach. 6th International Conference on Nitride Semiconductors, Bremen (Germany).

Schulz, S. and G. Czycholl (2005). "Tight-binding model for semiconductor nanostructures." Phys. Rev. B 72: 165317.

Schulz, S. and G. Czycholl (2006). "Electronic states in nitride semiconductor quantum dots: A tight-binding approach." physica status solidi (c) 3: 1675.

Schulz, S., S. Schumacher, et al. (2006). InN/GaN quantum dots: Electronic and optical properties. Proceedings of the ICPS 2006.

Schulz, S., S. Schumacher, et al. (2006). "Tight-Binding model for semiconductor quantum dots with a wurtzite crystal structure: From one-particle properties to Coulomb correlations and optical spectra." Phys. Rev. B 73: 245327.

Schulz, S., S. Schumacher, et al. (2007). "Semiconductor nanocrystals and embedded quantum dots: Electronic and optical properties." phys. stat. sol. (b) 244: 2399-2406.

Schumacher, S. (2005). Polariton Propagation and Coherent Many-Particle Effects in Semiconductor Heterostructures. Bremen, Universität Bremen. Doktorarbeit.

Schumacher, S., G. Czycholl, et al. (2004). Microscopic Theory for Nonlinear Polariton Propagation. 27th International Conference on the Physics of Semiconductors (ICPS), Flagstaff, Arizona (USA).

Schumacher, S., G. Czycholl, et al. (2006). "Coherent Propagation of Polaritons in the Nonlinear Optical Regime." Phys. Rev. B 73: 035318.

Schumacher, S., G. Czycholl, et al. (2004). "Polariton propagation in shallow-confinement heterostructures: Microscopic theory and experiment showing the breakdown of the deadlayer concept." Phys. Rev. B 70: 235340.

Schumacher, S., G. Czycholl, et al. (2005). Polariton Propagation in Shallow-Confinement Heterostructures. Conference on lasers and electro-optics / Quantum electronic & laserscience conference (CLEO/QELS), Baltimore, Maryland (USA).

Schumacher, S., G. Czycholl, et al. (2005). "Coherent Propagation of Polaritons in Semiconductor Heterostructures: Nonlinear Pulse Transmission in Theory and Experiment." Phys. Rev. B 72: 081308 (R).

Schwab, M., H. Kurze, et al. (2006). "Radiative emission dynamics of quantum dots in a single cavity micropillar." Phys. Rev. B 74: 045323.

Seebeck, J., T. R. Nielsen, et al. (2005). "Polarons in semiconductor quantum-dots and their role in the quantum kinetics of carrier relaxation." Phys. Rev. B 71: 125327.

Seebeck, J., T. R. Nielsen, et al. (2006). "Quantum kinetic theory of phonon-assisted carrier transitions in nitride-based quantum-dot systems." Eur. Phys. J. B 49: 167.

Singh, R., C. Rockstuhl, et al. (2009). "Coupling between a dark and a bright eigenmode in a terahertz metamateria." Phys. Rev. B 79: 085111.

Staab, T. E. M. (2005). Eindeutige Identifikation von atomarer Fehlstellen und ihrer Agglomerate in Element- und Verbindungshalbleitern. FB Physik, Universität Bonn. Habilitation.

Staab, T. E. M. (2009). "Vacancies in Magnesium Silicide -- Stoichiometric Vacancies Preferred?" phys.stat.sol. (b) in press.

Staab, T. E. M., T. Frauenheim, et al. (2009). "Agglomeration of As Antisites in As-rich LT-GaAs – Stabilization by Ga-Vacancies." Appl. Phys. Lett. in Vorbereitung.

Staab, T. E. M., J. Gebauer, et al. (2009). "Agglomeration of As Antisites in As-rich LT-GaAs – Comparison to Experimental Positron Annihilation Data." in Vorbereitung.

Staab, T. E. M., M. Haaks, et al. (2007). "Early precipitation stages in aluminium alloys - the role of quenched in vacancies." Appl. Surf. Sci. 255: 132-135.

Staab, T. E. M., M. Luysberg, et al. (2005). "Agglomeration of As Antisites in As-rich LT-GaAs. Nucleation without a critical Nucleus Size." Phys. Rev. Lett. 95: 125502.

Staab, T. E. M., C. Zamponi, et al. (2007). "Atomic structure of pre-Guinier-Preston zones in Al-alloys." phys.stat.sol (RRL) 1: 172-174.

Stekolnikov, A. A. (2005). Reconstruction of group-IV semiconductor surfaces: origin, energetics and consequences, Jena. Ph.D. thesis.

Stekolnikov, A. A., J. Furthmüller, et al. (2004). "Long-range surface reconstruction: Si(110)-16x2." Phys. Rev. Lett. 93: 136104.

Stekolnikov, A. A., J. Furthmüller, et al. (2004). "Structural elements on reconstructed Si and Ge(110) surfaces." Phys. Rev. B 70: 045305.

Sudfeld, D., O. Dmitrieva, et al. (2007). HR-TEM Studies of FePt Nanoparticles by Exit Wave Reconstruction. Mater. Res. Soc. Symp. Proc. 998E:0998-J01-06.

Teichler, H. (2005). "Heterogenous dynamics on the microsecond scale in simulated Ni0.5Zr0.5 metallic melts for below the glass temperature. ." Phs. Rev. E 71: 031505.

Ulrich, S. M., M. Benyoucef, et al. (2005). "Correlated photon-pair emission from a charged single quantum dot." Phys. Rev. B 71: 235328.

Ulrich, S. M., M. Benyoucef, et al. (2004). Quantum dot sources for photons on demand. 26th International Conference on the Physics of Semiconductors (ICPS), Flagstaff.

Ulrich, S. M., M. Benyoucef, et al. (2004). Single photon and photon-pair emission from quantum dots. 6th International Conference on Excitonic Processes in Condensed Matter, Cracow, Poland.

Ulrich, S. M., C. Gies, et al. (2007). "Photon Statistics of Semiconductor Microcavity Lasers." Phys. Rev. Lett. 98: 043906.

Wenger, C., J. Dabrowski, et al. (2004). "First investigation of metal-insulator-metal (MIM) capacitor using Pr2O3 dielectrics." Materials Science in Semiconductor Processing 7: 227.

Wenger, C., G. Lippert, et al. (2006). "High-Quality Al2O3/Pr2O3/Al2O3 MIM Capacitors for RF Applications." IEEE Trans. Electron. Dev. 53: 1937.

Wenger, C., R. Sorge, et al. (2005). "MIM capacitors using amorphous high-K PrTiO dielectrics." Microelectronic Engineering 80: 313.

Wieferink, J., P. Krüger, et al. (2006). "First-principles study of acetylene and ethylene adsorption on beta-SiC(001)-(2×1)." Phys. Rev. B 73: 115309.

Wieferink, J., P. Krüger, et al. (2006). "Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on beta-SiC(001)-(3×2)." Phys. Rev. B 74: 205311.

Wieferink, J., P. Krüger, et al. (2007). "First-principles study of acetylene adsorption on 3C-SiC(001)-(3x2)." Phys. Rev. B 75: 153305.

Wiersig, J., N. Baer, et al. (2004). Optical modes of semiconductor micropillars: a theory-experiment comparison. Quantum Electronics and Laser Science Conference (QELS), San Francisco.

Wischmeier, L., M. Buck, et al. (2004). Evidence of higher-order nonlinearities in excitonic FWM signals in microscopic theory and experiment. 14th International Conference on Ultrafast Phenomena, Niigata, Japan.

Wischmeier, L., I. Rückmann, et al. (2004). Evidence of higher-order nonlinearities on excitonic FWM signals in microscopic theory and experiment. 14th International Conference on Ultrafast Phenomena, Niigata (Japan).

Yoon, B., P. Koskinen, et al. (2007). "Size-dependent Structural Evolution and Chemical Reactivity of Gold Clusters." ChemPhysChem. 8: 157.

Zayak, A., P. Entel, et al. (2004). "Dynamical properties of Ni2Mn-Ga determined from density functional calculations." Phase Transitions 77: 253.

Zayak, A. T. (2003). A first-principles investigation of the magnetic, structural and dynamical properties of Ni2MnGa. Duisburg-Essen. Doktorarbeit.

Zayak, A. T., W. A. Adeagbo, et al. (2005). "Crystal structures of Ni2MnGa from density functional calculations." Phase Transitions 78: 259.

Zayak, A. T., W. A. Adeagbo, et al. (2006). "e/a dependence of the lattice instability of cubic Heusler alloys from first principles." Appl. Phys. Lett. 88: 111903.

Zayak, A. T. and P. Entel (2004). "Role of shuffles and atomic disorder in Ni-Mn-Ga." Mater Sci. Eng. A 378: 419.

Zayak, A. T. and P. Entel (2005). "A critical discussion of calculated modulated structures, Fermi-surface nesting and phonon softening in magnetic shape memory alloys Ni2Mn(Ga, Ge, Al) and Co2Mn(Ga, Ge)." J. Magn. Magn. Mater 290-291: 874.

Zayak, A. T., P. Entel, et al. (2003). "A first-principles investigation of phonon softenings and lattice instabilities in the shape-memory system Ni2MnGa." Phys. Rev. B 68: 132402.

Zayak, A. T., P. Entel, et al. (2003). "First-principles investigations of homogeneous lattice-distortive strain and shuffles in Ni2MnGa." J. Phys.: Condens. Matter 15: 159.

Zayak, A. T., P. Entel, et al. (2003). "A first-principles investigation of tetragonal and orthorhombic deformations in the ferromagnetic Heusler alloy Ni2MnGa." J. Phys. IV (France) 112: 985.

Zayak, A. T., P. Entel, et al. (2005). "Anomalous vibrational effects in non-magnetic and magnetic Heusler alloys." Phys. Rev. B 72: 054113.

Plasmaphysik (27)

Arneodo, A., R. Benzi, et al. (2008). "Universal intermittent properties of particle trajectories in highly turbulent flows." Phys. Rev. Lett. 100: 254504.

Arnold, L., C. Beetz, et al. (2007). Massively Parallel Simulations of Solar Flares and Plasma Turbulence. Parallel Computing: Architectures, Algorithms and Applications. Jülich, John von Neumann-Institut für Computing. NIC Series Volume 37: 333-341.

Arnold, L., J. Dreher, et al. (2008). "A semi implicit Hall-MHD solver using whistler wave preconditioning." Comp. Phys. Comm. 178: 553.

Arnold, L., J. Dreher, et al. (2008). "Three-dimensional MHD simulation of expanding magnetic flux ropes." Phys. Plasmas 15: 042106.

Beetz, C., C. Schwarz, et al. (2008). "Density-PDFs and Lagrangian Statistics of highly compressible Turbulence." Phys. Lett. A 372: 3037.

Busse, A., W. C. Mueller, et al. (2007). "Statistics of passive tracers in three-dimensional magnetohydrodynamic turbulence." Phys. Plasmas 14: 122303.

Dreher, J., D. Laveder, et al. (2005). " Formation and disruption of Alfvénic filaments in Hall-magnetohydrodynamics." Phys. Plasmas 12: 052319.

Dreher, J., V. Ruban, et al. (2005). " Axisymmetric flows in Hall-MHD: A tendency towards finite-time singularity formation." Physica Scripta 72: 450.

Friedrich, R., R. Grauer, et al. (2009). "A Corrsin-type Approximation for Lagrangian Fluid Turbulence." Physica Scripta 79: 055403.

Grafke, T., H. Homann, et al. (2007). "Numerical simulations of possible finite time singularities in the incompressible Euler equations: comparison of numerical methods." Physica D 237: 1932--1936.

Grafke, T., H. Homann, et al. (2007). "Numerical simulations of possible finite time singularities in the incompressible Euler equations: comparison of numerical methods." Physica D 237: 1932.

Homann, H. (2006). Lagrangian Statistics of Turbulent Flows in Fluids and Plasmas. Bochum, Ruhr-Universität Bochum. Doktorarbeit.

Homann, H., J. Bec, et al. (2009). "Clustering of passive impurities in MHD turbulence." Phys. Plasmas 16: 082308.

Homann, H., J. Dreher, et al. (2007). "Impact of the floating-point precision and interpolation scheme on the results of DNS of turbulence by pseudo-spectral codes." Comp. Phys. Comm. 177: 560.

Homann, H., R. Grauer, et al. (2007). "Lagrangian Statistics of Navier-Stokes- and MHD-Turbulenz." Journ. Plasma Phys. 73: 821.

Homann, H., O. Kamps, et al. (2009). "Bridging from Eulerian to Lagrangian statistics in 3D hydro- and magnetohydrodynamic turbulent flows." New Journal of Physics 11: 73020.

ICTR, A. Arneodo, et al. (2008). "Universal intermittent properties of particle trajectories in highly turbulent flows." Phys. Rev. Lett. 100: 254504.

Kissmann, R. and R. Grauer (2007). "A low dissipation essentially non-oscillatory central scheme." Comp. Phys. Comm. 176: 522.

Kissmann, R., J. Kleimann, et al. (2008). "Local Turbulence Simulations for the Multiphase ISM." MNRAS 391: 1577.

Kissmann, R., J. Kleimann, et al. (2008). "Local Turbulence Simulations for the Multiphase ISM." MNRAS 391: 1577.

Kleimann, J., A. Kopp, et al. (2008). "A novel code for numerical 3-D MHD studies of CME expansion." Ann. Geophys. 27: 989.

Klimo, O., J. Psikal, et al. (2008). "Monoenergetic ion beams from ultrathin foils irradiated by ultrahigh-contrast circularly polarized laser pulses." Phys. Rev. ST- Accelerators and Beams 11 (3): 031301.

Limpouch, J., J. Psikal, et al. (2008). "Enhanced laser ion acceleration from mass-limited targets." Laser & Particle Beams 26: in press.

Limpouch, J., J. Psikal, et al. (2008). Laser acceleration of ions in mass-limited multi-species targets. Inertial Fusion Science and Applications, Kobe, Japan.

Psikal, J., J. Limpouch, et al. (2007). Two-dimensional simulations of ion acceleration by ultraintense femtosecond laser pulses. 34th Conference on Plasma Physics, Warsaw, Poland.

Psikal, J., V. T. Tikhonchuk, et al. (2008). "Ion acceleration by femtosecond laser pulses in small multispecies targets." Phys. Plasmas 15: in press.

Schwarz, C., C. Beetz, et al. (2010). "Lyapunov exponents and information dimension of the mass distribution in turbulent compressible flows." Phys. Lett. A 374: 1039.

Polymere (93)

Bachmann, M., H. Arkin, et al. (2005). "Multicanonical Study of Coarse-Grained Off-Lattice Models for Folding Heteropolymers." Phys. Rev. E 71: 031906.

Bachmann, M., K. Goede, et al. (2007). Leipzig/Lund preprint (November 2007).

Bachmann, M. and W. Janke (2004). "Thermodynamics of Lattice Heteropolymers." J. Chem. Phys. 120: 6779.

Bachmann, M. and W. Janke (2005). "Conformational Transitions of Heteropolymers,." Comp. Phys. Commun. 169: 111.

Bachmann, M. and W. Janke (2005). "Conformational Transitions of Nongrafted Polymers near an Absorbing Substrate." Phys. Rev. Lett. 95: 058102.

Bachmann, M. and W. Janke (2006). Adsorption Phenomena at Organic-Inorganic Interfaces. Proceedings of the workshop "From Computational Biophysics to Systems Biology", p. 95, Jülich, John von Neumann Institute for Computing.

Bachmann, M. and W. Janke (2006). Chain-Growth Simulations of Lattice-Peptide Adsorption to Attractive Substrates. Proceedings of the NIC Symposium 2006, Jülich, John von Neumann Institute for Computing.

Bachmann, M. and W. Janke (2006). Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models. Proceedings of the Workshop "From Computational Biophysics to Systems Biology", p. 59, Jülich, John von Neumann Institute for Computing.

Bachmann, M. and W. Janke (2006). "Substrate Adhesion of a Nongrafted Flexible Polymer in a Cavity." Phys. Rev. E 73: 041802.

Bachmann, M. and W. Janke (2006). "Substrate Specificity of Peptide Adsorption: A Model Study." Phys. Rev. E 73: 020901(R).

Bachmann, M. and W. Janke (2007). Thermodynamics of Protein Folding from Coarse-Grained Models' Perspectives. Rugged Free Energy Landscapes: Common Computational Approaches to Spin Glasses, Structural Glasses and Biological Macromolecules. W. Janke. Berlin, Springer. Lect. Notes Phys. 736.

Bachmann, M. and W. Janke (2008). Minimalistic Hybrid Models for the Adsorption of Polymers and Peptides To Solid Substrates. Proceedings of the Conference on Mathematical Modeling and Computational Physics 2006, High Tatra Mountains, in print in "Particle and Nuclei Letters", No. 3.

Binder, K., M. Müller, et al. (2005). "Polymer mixtures in confined geometry: Model systems to explore phase transitions." Pramana 64: 981.

Binder, K., M. Müller, et al. (2005). "Monte Carlo simulations of Ising models and polymer blends in double wedge geometry: Evidence for novel types of critical phenomena." Comp. Phys. Comm. 169: 226.

Binder, K., M. Müller, et al. (2005). "Polymer+solvent systems: Phase diagrams, interface free energies, and nucleation." Adv. Polym. Sci. 173: 1-104.

Bucior, K., L. Yelash, et al. (2008). "Phase separation of an asymmetric binary-fluid mixture confined in a nanoscopic slit pore: Molecular-dynamics simulations." Phys. Rev. E 77: 051602.

Cavallo, A., M. Müller, et al. (2005). "Unmixing of polymer blends confined in ultrathin films: Crossover between two-dimensional and threedimensionalbehavior." J. Phys. Chem. B 109: 6544.

Cavallo, A., M. Müller, et al. (2006). "Formation of micelles in homopolymer-copolymer mixtures." Macromolecules 39: 9539.

Cavallo, A., M. Müller, et al. (2008). "Monte Carlo simulation of a homopolymer-copolymer mixture interacting with a surface: bulk versus surface micelles and brush formation." Macromolecules 41: 4937.

Cavallo, A., M. Müller, et al. (2005). " Single chain structure in thin polymer films: Corrections to Flory's and Silberberg's hypotheses." J. Phys.: Condens.Matter 17: S1697.

Daoulas, K. C. and M. Müller (2006). "Single Chain in Mean Field simulations: Quasi-instantaneous field approximation and quantitative comparison with Monte Carlo simulations." J. Chem. Phys. 125: 184904.

Daoulas, K. C., M. Müller, et al. (2006). "Morphology of multi-component polymer systems: Single chain in mean field simulation studies." Soft Matter 2: 573.

Daoulas, K. C., M. Müller, et al. (2008). "Directed copolymer assembly on chemical substrate patterns: a phenomenological and Single-Chain-in-Mean-Field simulations study of the influence of roughness in the substrate pattern." Langmuir 24: 1284.

Daoulas, K. C., M. Müller, et al. (2006). "Directed assembly of copolymer materials on patterned substrates: balance of simple symmetries in complex structures." J. Polym. Sci. B 44: 2589.

Daoulas, K. C., M. Müller, et al. (2006). "Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry." Phys. Rev. Lett. 96: 036104.

Detcheverry, F. A., H. Kang, et al. (2008). "Monte Carlo simulations of a coarse grain model for block copolymer systems " Macromolecules 41: 4989.

Edwards, E. W., M. Müller, et al. (2007). "Enhanced control over the dimensions and shapes of patterned nanostructure using self-assembling block copolymers in the lithographic process." Macromolecules 40: 90.

Edwards, E. W., M. Müller, et al. (2007). "Enhanced control over the dimensions and shapes of patterned nanostructure using self-assembling block copolymers in the lithographic process." Macromolecules 40: 90.

Edwards, E. W., M. P. Stoykovich, et al. (2005). "Mechanism and Kinetics of Ordering in Diblock Copolymer Thin Films on Chemically Nanopatterned Substrates." J. Polym. Sci. B 43: 3444.

Goede, K., M. Bachmann, et al. (2007). Specific Adhesion of Peptides on Semiconductor Surfaces in Experiment and Simulation. Proceedings of the 28th Conference on the Physics of Semiconductors, Vienna, AIP Conference Proceedings Volume 893.

Goede, K., K. Holland-Nell, et al. (2005). "Peptide auf neuen Wegen." BIOforum 10: 53.

Gökoglu, G., M. Bachmann, et al. (2006). "Structural Properties of Small Semiconductor-Binding Synthetic Peptides." Phys. Rev. E 74: 041802.

Goudeau, S., M. Charlot, et al. (2004). "Mobility Enhancement in Amorphous Polyamide 6,6 Induced by Water Sorption: A Molecular Dynamics Simulation Study." J. Phys. Chem. B 108: 18779-18788.

Goudeau, S., M. Charlot, et al. (2004). "Atomistic Simulation of the Water Influence on the Local Structure of Polyamide 6,6." Macromolecules 37: 8072-8081.

Hömberg, M. (2007). Ein Verfahren zur schnellen Einführung von intermolekularen Korrelationen in Homopolymere. Göttingen, Universität Göttingen. Diplomarbeit.

Houdayer, J. and M. Müller (2004). "Phase diagram of random copolymer melts: A Monte Carlo study." Macromolecules 37: 4283.

Hsu, H.-P., W. Paul, et al. (2007). "One- and Two-Component Bottle-brush Polymers: Simulations Compared to Theoretical Predictions." Macromol. Theory & Simul. 16: 660.

Junghans, C., M. Bachmann, et al. (2006). "Microcanonical Analyses of Peptide Aggregation Processes." Phys. Rev. Lett. 97: 218103.

Junghans, C., M. Bachmann, et al. (2007). Phase Separation in Peptide Aggregation Processes -- Multicanonical Study of a Mesoscopic Model. From Computational Biophysics to Systems Biology (CBSB07), Jülich, NIC Series Vol. 36

Junghans, C., M. Bachmann, et al. (2007). "Thermodynamics of Peptide Aggregation Processes. An Analysis from Perspectives of Three Statistical Ensembles." J. Chem. Phys. submitted: Mainz/Lund/Leipzig preprint (July 2007).

Kallias, A., M. Bachmann, et al. (2007). "Thermodynamics and Kinetics of a Go-Like Heteropolymer Model with Two-State Folding Characteristics." J. Chem. Phys. in press: Wolfsburg/Lund/Leipzig preprint (August 2007).

Katsov, K., M. Müller, et al. (2004). "Field theoretic study of bilayer membranefusion: I. Hemifusion mechanism." Biophys.J. 87: 3277.

Katsov, K., M. Müller, et al. (2005). "Fusion of biological membranes." Pramana 64: 1127.

Kumar, N. A. (2006). Molecular Dynamics Simulations of Polyelectrolyte Brushes. Potsdam, Universität Potsdam. Ph. D.

Kumar, N. A. and C. Seidel (2005). "Polyelectrolyte Brushes with Added Salt." Macromolecules 38: 9341-9350.

Kumar, N. A. and C. Seidel (2007). "Interaction between Two Polyelectrolyte Brushes." Phys. Rev. E 76: 020801(R).

Lin, Y.-C., M. Müller, et al. (2004). "Stability of thin polymer films: influence of solvents." J. Chem. Phys. 121: 3814.

Mitternacht, S., S. Schnabel, et al. (2007). "Differences in Solution Behavior among Four Semiconductor-Binding Peptides." J. Phys. Chem. B 111: 4355.

Mognetti, B. M., M. Oettel, et al. (2008). "Spherically averaged versus angle-dependent interactions in quadrupolar fluids." Phys. Rev. E 77: 041506

Mognetti, B. M., P. Virnau, et al. (2009). "Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior." Phys. Chem. Chem. Phys. 11: ??????

Mognetti, B. M., L. Yelash, et al. (2008). "Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide." J. Chem. Phys. 128: 104501.

Mognetti, B. M., L. Yelash, et al. (2009). "Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment." J. Chem. Phys. 130: 044101.

Mognetti, B. M., L. Yelash, et al. (2008). "Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxode." J. Chem. Phys. 128: 104501.

Müller, M. and K. Binder (2005). "Interplay between wetting and phase behaviour in binary polymer films and wedges: Monte Carlo simulations and mean field theory." J. Phys. Condensed Matter 17: S333.

Müller, M. and K. Binder (2006). "Interplay between wetting and phase behavior in binary polymer films and wedges: Monte Carlo simulations and mean field calculations." Intl. J. Thermophys. 27: 448.

Müller, M. and K. C. Daoulas (2007). "Ordering of diblock copolymer materials on patterned substrates: A Single-Chain-in-Mean-Field simulation study." Macromol. Symp. 252: 68.

Müller, M. and K. C. Daoulas (2008). "Calculating the free energy of self-assembled structures by thermodynamic integration." J. Chem. Phys. 128: 024903.

Müller, M., K. Katsov, et al. (2006). "Biological and synthetic membranes: What can be learned from a coarse-grained description?" Phys. Rep. 434: 113.

Müller, M. and C. Pastorino (2008). "Cyclic motion and inversion of surface flow direction in a dense polymer brush under shear." Europhys. Lett. 81: 28002

Müller, M. and F. Schmid (2005). "Incorporating fluctuations and dynamics in self-consistent field theories for polymer blends." Adv. Polym. Sci. 185: 1-58.

Müller, M. and G. D. Smith (2005). "Phase separation in binary mixtures containing polymers: A quantitative comparison between "single chain in mean field"-simulations and computer simulations of the corresponding multichain systems." J.Polym.Sci. B 43: 934.

Pastorino, C., T. Kreer, et al. (2006). "Static and dynamic properties of the interface between a polymer brush and a melt of identical chains." J. Chem. Phys. 124: 064902.

Reister, E., M. Müller, et al. (2005). "Equilibrium phase behavior of polybutadiene/polyisoprene films: binodals and spinodals, Macromolecules." Macromolecules 38: 5158.

Rossinsky, E. (2010). Molecular simulations of transport in liquids and polymers. Darmstadt, TU Darmstadt. PhD.

Santer, S., A. Kopyshev, et al. (2007). "Memory of Surface Patterns in Mixed Polymer Brushes: Simulation and Experiment." Langmuir 23: 279.

Santer, S., A. Kopyshev, et al. (2007). "Memory of Surface Patterns in Mixed Polymer Brushes: Simulation and Experiment." Langmuir 23: 279.

Schick, M., K. Katsov, et al. (2005). "The central role of line tension in the fusion of biological membranes." Mol. Phys. 103 (special issue honoring BenWidom). 3055.

Schiemann, R., M. Bachmann, et al. (2005). "Exact Enumeration of Three-Dimensional Lattice Proteins." Comp. Phys. Commun. 166: 8.

Schiemann, R., M. Bachmann, et al. (2005). "Exact Sequence Analysis for Three-Dimensional Hydrophobic-Polar Lattice Proteins." J. Chem. Phys. 122: 114705.

Schluttig, J., M. Bachmann, et al. (2007). "Comparative Molecular Dynamics and Monte Carlo Study of Statistical Properties for Coarse-Grained Heteropolymers." Leipzig preprint.

Schnabel, S., M. Bachmann, et al. (2007). "Identification of Characteristic Protein Folding Channels in a Coarse-Grained Hydrophobic-Polar Peptide Model,." J. Chem. Phys. 126: 105102.

Schnabel, S., M. Bachmann, et al. (2007). "Two-State Folding, Folding Through Intermediates, and Metastability in a Minimalistic Hydrophobic-Polar Model for Proteins." Phys. Rev. Lett. 98: 048103.

Schulz, B. J., K. Binder, et al. (2005). "Study of first-order interface localization-delocalization transition in thin Ising-films using Wang-Landau sampling." Phys. Rev. E 71: 046705.

Servantie, C. and M. Müller (2008). "Statics and dynamics of a cylidrical droplet under an external body force." J. Chem. Phys. 128: 014709.

Servantie, J. and M. Müller (2008). "Temperature dependence of the slip length in polymer melts at attractive surfaces." Phys. Rev. Lett. 101: 026101.

Stoykovich, M. P., H. Kang, et al. (2007). "Directed Self-Assembly of Block Copolymers for Nanolithography: The Fabrication of Isolated Features and Essential Integrated Circuit Geometries." ACS Nano 1: 168.

Stoykovich, M. P., M. Müller, et al. (2005). "Directed assembly of block copolymer blends into non-regular device oriented structures." Science 308: 1442.

Tarmyshov, K. and F. Müller-Plathe (2005). "Parallelizing a molecular dynamics algorithm on a multi-processor workstation using OpenMP." ACS J. Chem. Inf. Model. (JCICS) 45: 1943.

Tarmyshov, K. B. (2007). Molecular dynamics simulations: Development and applications. Darmstadt, TH Darmstadt. Doktorarbeit.

Tarmyshov, K. B. and F. Müller-Plathe (2007). "The interface between platinum(111) and liquid isopropanol (2-propanol): A model for molecular dynamics studies." J. Chem. Phys. 126: 74702.

Tarmyshov, K. B. and F. Müller-Plathe (2007). "The interface between platinum(111) and poly(vinyl alcohol) melt: A molecular dynamics study." Soft Materials 5: 135.

Tarmyshov, K. B. and F. Müller-Plathe (2008). "Treatment of electrostatic interactions in simulations of the interface between transition metal surface and organic matter: Discrete classical model reaction field dielectric." Phys. Chem. Chem. Phys. 10: 442-448.

Terao, T. and F. Müller-Plathe (2005). "A nonequilibrium molecular dynamics method for thermal conductivities based on thermal noise." J. Chem. Phys. 122: 081103 1-3.

Virnau, P. and M. Müller (2004). "Calculation of free energy through successive umbrella sampling." J. Chem. Phys. 120: 10925.

Virnau, P., M. Müller, et al. (2004). "Phase behavior of n-alkanes in supercritical solution: A Monte Carlo study." J. Chem. Phys. 121: 2169.

Virnau, P., M. Müller, et al. (2004). "Phase separation kinetics in compressible polymer solutions: Computer simulation of the early stages." New J. Physics 6: 7.

Vogel, T., M. Bachmann, et al. (2007). "Freezing and Collapse of Flexible Polymers on Regular Lattices in Three Dimensions." Phys. Rev. E in press: arXiv:0710.4960.

Wenning, L., M. Müller, et al. (2005). "How does the pattern of grafting points influence the structure of one-component and mixed polymer brushes?" Europhys. Lett. 71: 639.

Wittmer, J. P., H. Meyer, et al. (2004). "Long range bond-bond correlation in dense polymer solutions." Phys. Rev. Lett. 93: 147801.

Yelash, L., P. Virnau, et al. (2008). "Spinodal decomposition of polymer solutions: A parallelized molecular dynamics simulation." Phys. Rev. E 78: 031801.

Zhang, M., E. Lussetti, et al. (2005). "Thermal conductivities of molecular liquids by reverse non-equilibrium molecular dynamics." J. Phys. Chem. B 109: 15060.

Zhang, M. and F. Müller-Plathe (2005). "Reverse non-equilibrium molecular dynamics calculation of the Soret effect in liquid benzene/cyclohexane mixtures." J. Chem. Phys. 123: 124502.

Zhao, W., F. Leroy, et al. (2009). "Are there stable ion-pairs in room temperature ionic liquids? Molecular dynamics study of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate." The Journal of the Americam Chemical Society 131: 15825-15833.

Sonstiges (29)

Drobniewski, C., H. L. Yang, et al. (2007). "Lyapunov instability of supercooled binary Lennard-Jones fluids." preprint.

Finocchiaro, T., S. Heinke, et al. (2009). "Methods of Design, Simulation and Control for the Development of New VAD/TAH Concepts." Biomedizinische Technik 54: 269-281.

Jobb, G., A. v. Haeseler, et al. (2004). "TREEFINDER: a powerful graphical analysis environment for molecular phylogenetics." BMC Evol. Biol. 4: 18.

Kusserow, A., K. Pang, et al. (2005). "Unexpected complexity of Wnt gene family in a sea anemone." Nature 433: 156-160.

Metzler, D., R. Fleißner, et al. (2005). Stochastic insertion-deletion processes and statistical sequence alignment. Interacting Stochastic Systems. D. Jean-Dominique and A. Greven, Springer, Heidelberg/New York: 247-267.

Moslavac, S., O. Mirus, et al. (2005). "Conserved pore-forming regions in polypeptide-transporting proteins." FEBS Journal 6: 1367-1378.

Oota, H., B. Pakendorf, et al. (2005). "Recent origin and cultural reversion of a huntergatherer group." PLoS Biol. 3.

Petzold, E., D. Merkle, et al. (2005). Phylogenetic parameter estimation on COWs. Parallel Computing for Bioinformatics. A. Y. Zomaya, Wiley and sons, New Jersey.

Radons, G., G. Rünger, et al. (2006). Parallel algorithms for the determination of Lyapunov characteristics of large nonlinear dynamical systems. Proceedings of the Seventh International Workshop, PARA '04, Lyngby, Denmark, Springer.

Radons, G. and H. L. Yang (2005). "Static and Dynamic Correlations in many-Particle Lyapunov Vectors." arXiv:nlin.CD/0404028.

Rünger, G. and M. Schwind (2005). Comparison of Different Parallel Modified Gram-Schmidt Algorithms. Proc. of 11th International Euro-Par Conference, p. 826, Lisboa, Portugal, Springer.

Schwind, M. (2005). Implementierung und Laufzeitevaluierung paralleler Algorithmen zur Gram-Schmidt Orthogonalisierung und zur QR-Zerlegung. Chemnitz, TU-Chemnitz. Diplomarbeit.

Vinh, L. S. and A. v. Haeseler (2004). "IQPNNI: Moving fast through tree space and stopping in time." Mol. Biol. Evol. 21: 1565-1571.

Vinh, L. S. and A. v. Haeseler (2005). "Shortest triplet clustering: reconstructing large phylogenies using representative sets " BMC Bioinformatics 6: 92.

Vinh, L. S., H. A. Schmidt, et al. (2004). PhyNav: A novel approach to reconstruct large phylogenies. 28th Annual Conference of the GfKl, Classification - The Ubviquitous Challenge, Studies in Classification, Data Analysis, and Knowledge Organization.

Yang, H. L. and G. Radons (2005). "Lyapunov instabilities of Lennard-Jones fluids." Phys. Rev. E 71: 036211.

Yang, H. L. and G. Radons (2006). "Dynamical behaviors of Hydrodynamic Lyapunov modes in coupled map lattices." Phys. Rev. E 73: 016208.

Yang, H. L. and G. Radons (2006). "Hydrodynamic Lyapunov modes and strong stochasticity threshold in Fermi-Pasta-Ulam models." Phys. Rev. E 73: 066201.

Yang, H. L. and G. Radons (2006). "Hydrodynamic Lyapunov modes in coupled map lattice." Phys. Rev. E 73: 016202.

Yang, H. L. and G. Radons (2006). Lyapunov instabilities of extended systems. Parallel Algorithms and Cluster Computing. K. H. Hoffmann and A. Meyer. Berlin, Springer. Lecture Notes in Computational Science and Engineering 52: p. 315.

Yang, H. L. and G. Radons (2006). "Universal features of Hydrodynamic Lyapunov modes in extended systems with continuous symmetries." Phys. Rev. Lett. 96: 074101.

Yang, H. L. and G. Radons (2007). "Large volume limit of Lyapunov characteristics in systems with continuous symmetries." preprint.

Yang, H. L. and G. Radons (2007). "Lyapunov Spectral Gap and Branch Splitting of Lyapunov Modes in a Diatomic System." Phys. Rev. Lett. 99: 164101.

Yang, H. L. and G. Radons (2007). "Signature of disorder in Lyapunov dynamics: the case of supercooled Lennard-Jones fluids." preprint.

Yang, H. L. and G. Radons (2008). "Hydrodynamic Lyapunov modes and strong stochasticity threshold in the dynamic XY model: An alternative scenario." Phys. Rev. E 77: 016203.

Yang, H. L. and G. Radons (2008). Lyapunov Instabilities of Extended Systems. NIC Symposium 2008, NIC Series vol 39, p. 349, Jülich.

Yang, H. L. and G. Radons (2008). "When can one observe good hydrodynamic Lyapunov modes?" Phys. Rev. Lett. 100: 024101.

Yang, H. L. and G. Radons (2009). "Hyperbolicity and the Effective Dimension of Spatially Extended Dissipative Systems." Phys. Rev. Lett. 102: 074102.

Yang, H. L. and G. Radons (2009). "Lyapunov modes in extended systems." Philosophical Transactions A of the Royal Socity theme Issue "Nonequilibrium Statistical Mechanics and Nonlinear Physics": accepted.

Strömungsforschung (108)

Arora, D., M. Behr, et al. (2006). "Hemolysis estimation in a centrifugal blood pump using a tensor-based measure." Artificial organs 30: 539-547.

Behbahani, M., M. Behr, et al. (2008). "A Review of Computational Fluid Dynamics Analysis of Blood Pumps." European Journal of Applied Mathematics 20: 643.

Behbahani, M., M. Behr, et al. (2009). "A survey in mathematics for industry: A review of computational fluid dynamics analysis of blood pumps." European journal of applied mathematics doi:10.1017/S0956792509007839: published online.

Behbahani, M., M. Behr, et al. (2008). "Computational Analysis of Platelet Aggregation in a Taylor-Couette System." Journal of Artificial Organs 31: 643.

Behbahani, M., M. Behr, et al. (2008). Towards Shape Optimization for Ventricular Assist Devices Using Parallel Stabilized FEM. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Behbahani, M., L. Tran, et al. (2009). "Model-based Numerical Analysis of Platelet Adhesion, Thrombus Growth and Aggregation for Assist Devices." The International Journal of Artificial Organs 32: 398.

Behr, M. (2008). "Simplex Space-Time Meshes in Finite Element Simulations." International Journal for Numerical Methods in Fluids 57: 1421-1434.

Behr, M., D. Arora, et al. (2006). "Models and Finite Element Techniques for Blood Flow Simulation." International Journal of Computational Fluid Dynamics 20: 175-181.

Behr, M., M. Nicolai, et al. (2007). Efficient Parallel Simulations in Support of Medical Device Design. - In: Parallel Computing: Architectures, Algorithms and Applications. Proceedings of the International Conference ParCo 2007., Jülich.

Boeck, T., D. Krasnov, et al. (2008). "Large-scale intermittency of liquid-metal channel flow in a magnetic field." Phys. Rev. Lett. 101: 244501.

Boeck, T., D. Krasnov, et al. (2006). Numerical Study of Magnetohydrodynamic Turbulence in Channel Flow. The 5th International Symposium on Electromagnetic Processing of Materials EPM2006, Tokyo, The Iron and Steel Institute of Japan.

Boeck, T., D. Krasnov, et al. (2006). "Simulation and phenomenology of turbulent magnetohydrodynamic channel flow." Turbulence, Heat and Mass Transfer 5: 179-182.

Boeck, T., D. Krasnov, et al. (2007). "Numerical study of turbulent magnetohydrodynamic channel flow." Journal of Fluid Mechanics 572: 179-188.

Boffetta, G., J. Davoudi, et al. (2004). "Lagrangian tracers on a surface flow: the role of time correlations." Phys. Rev. Lett. 93: 134501.

Borrmann, E., R. Tomcin, et al. (2009). Comparison of the Elastic Mesh Update and a Concentric Shell Motion Method Applied to the Refinement Study of the Voith-Schneider Propeller. Computational Methods in Marine Engineering, Trondheim.

Bowman, J. C., C. R. Doering, et al. (2006). "Links between dissipation, intermittency, and helicity in the GOY model revisited." Physica D 218: 1.

Bramkamp, F., R. Balaji, et al. (2006). "Effect of Flap and Slat Riggings on 2-D High-Lift Aerodynamics." Journal of Aircraft 43: 1259-1271.

Bramkamp, F., H. Bücker, et al. (2006). "Using Exact Jacobians in an Implicit Newton-Krylov Method." Computers & Fluids 35: 1063-1073.

Bramkamp, F. D., B. and Pollul, et al. (2008). "Matrix-Free Second-Order Methods in Implicit Time Integration for Compressible Flows Using Automatic Differentiation." Computers & Fluids accepted.

Coronado, O., D. Arora, et al. (2006). "Four-Field Galerkin/Least-Squares Formulation for Viscoelastic Fluids." Journal of Non-Newtonian Fluid Mechanics 140: 132–144.

Coronado, O., D. Arora, et al. (2007). "A Simple Method for Simulating Generalized Viscoelastic Fluid Flows with an Alternate Log-Conformation Formulation." Journal of Non-Newtonian Fluid Mechanics 147: 189-199.

Davoudi, J. and J. Schumacher (2006). "Stretching of polymers around the Kolmogorov scale in a turbulent shear flow." Phys. Fluids 18: 025103.

Doering, C. R., B. Eckhardt, et al. (2006). "Stress overshoots and the failure of energy stability in Oldroyd-B fluids at arbitrarily low Reynolds numbers." J. Non-Newtonian Fluid Mech. 135: 92.

Eckhardt, B., A. Jachens, et al. (2005). Asymmetry of temporal cross-correlations in turbulent shear flows. Turbulence and Shear Flow Phenomena, Williamsburg.

Eitel, G., A. Lintermann, et al. (2008). Numerical Simulation of Nasal Cavity Flow Based on a Lattice-Boltzmann method. 16th DGLR Symposium of STAB, 2008., to be published in: Numerical Fluid Mechanics and Multidisciplinary Design.

Elgeti, S., M. Probst, et al. (2008). Numerical shape optimizaion of extrusion dies—a new field of application. Advances in Shape and Topology Optimization, Graz.

Elgeti, S., M. Probst, et al. (2009). "Towards Shape Optimization of Extrusion Dies Using Finite Elements." Journal of Plastics Technology 6: 411-427.

Emran, M. S. and J. Schumacher (2008). "Fine-scale statistics of temperature and its derivatives in convective turbulence." J. Fluid Mech. 611: 13.

Foysi, H., J. P. Mellado, et al. (2010). "Large-eddy simulation of variable-density round and plane jets." Int. J. of Heat and Fluid Flow in press: doi:10.1016/j.ijheatfluidflow.2009.12.001.

Freitas, R. K., M. Meinke, et al. (2006). Turbulence simulation via the Lattice Boltzman method on hierarchically refined meshes. European Conference on Computational Fluid Dynamics, ECCOMAS CFD 2006.

Freitas, R. K., M. Meinke, et al. (2008). "Investigation of Wall-Bounded Turbulent Flow using Lattice Boltzmann Methods." Computers & Fluids submitted.

Freitas, R. K. and W. Schröder (2008). "Numerical investigation of the three-dimensional flow in a human lung model." Journal of Biomechanics 41: 2446-2457.

Freitas, R. K. and W. Schröder (2008). "Simulation der Luftströmung in den Atemwegen." Deutsches Ärzteblatt 105: A1512.

Freitas, R. K., W. Schröder, et al. (2005). Investigation of Lattice Boltzmann Methods for LES. Progress in Turbulence II, Proceedings of the iTi Conference in Turbulence 2005, Springer Proceedings in Physics 279-283, 2007.

Fries, T. (2008). "A Corrected XFEM Approximation Without Problems in Blending Elements." International Journal for Numerical Methods in Engineering 75: 503-532.

Fries, T. and T. Belytschko (2007). "The intrinsic partition of unity method." Computational mechanics 40: 803-814.

Gaisbauer, U., B. Weigand, et al. (2007). Research Training Group GRK 1095/1: Aero-Thermodynamic Design of a Scramjet Propulsion System. 18th International Symposium of Air-Breathing Engines (ISABE), Beijing, China.

Hamlington, P. E., J. Schumacher, et al. (2008). "Local and nonlocal strain rate fields and vorticity alignment in turbulence." Phys. Rev. E 77: 026303.

Hamlington, P. E., J. Schumacher, et al. (2008). "Vorticity alignment with local and nonlocal strain rates in turbulent flows." Phys. Fluids 20: 111703.

Hentschel, B., I. Tedjo, et al. (2008). "Interactive Blood Damage Analysis for Ventricular Assist Devices." IEEE Transactions on Visualization and Computer Graphics 14: 1515-1522.

Jachens, A. (2004). Räumlich-zeitliche Korrelationen in turbulenten Scherströmungen. Physik. Marburg, Phlipps-Universität. Doktorarbeit.

Jachens, A., J. Schumacher, et al. (2006). "Asymmetry of temporal cross-correlations in turbulent shear flows." J. Fluid Mech. 547: 55.

Krasnov, D., M. Rossi, et al. (2008). "Optimal growth and transition to turbulence in channel flow with spanwise magnetic field." Journal of Fluid Mechanics 596: 73.

Krasnov, D., E. Zienicke, et al. (2004). Numerical simulation of transition to turbulence in MHD-channel flow: Direct and Large-Eddy Simulation V. ERCOFTAC Series Vol. 9 R. Friedrich, B. Geurts and O. Metais, Kluwer Academic Publishers, Dordrecht.

Krasnov, D., E. Zienicke, et al. (2004). "Numerical study of instability and transition to turbulence in the Hartmann flow." J. Fluid Mech. 504: 183-211.

Krasnov, D., O. Zikanov, et al. (2008). "Magnetohydrodynamic turbulence in a channel with spanwise magnetic field." Physics of Fluids 20: 095105.

Krasnov, D., O. Zikanov, et al. (2008). MHD turbulence in channel flow with spanwise magnetic field. In Proceedings of the 7th International Pamir Conference on Fundamental and Applied Magnetohydrodynamics, pp399 - 403.

Krause, M. and J. Ballmann (2007). Enhanced Design of a Scramjet Intake Using Two Different RANS Solvers. 26th International Symposium on Shock Waves, Göttingen, Germany.

Krause, M. and J. Ballmann (2007). Enhanced design of a scramjet intake using two different RANS solvers. 26th International Symposium on Shock Waves, Göttingen, Deutsches Zentrum für Luft- und Raumfahrt e.V. in der Helmholtz-Gemeinschaft.

Krause, M. and J. Ballmann (2007). Numerical Investigation of Hypersonic Intake Flows. High Performance Computing in Science and Engineering `07; Transactions of the High Performance Computing Centre Stuttgart (HLRS), Stuttgart.

Krause, M. and J. Ballmann (2007). Numerical Simulation and Design of a Scramjet Intake Using Two Different RANS Solvers. 43rd Joint Propulsion Conference and Exhibit, Cincinnati, Ohio, USA.

Krause, M. and J. Ballmann (2007). Numerical simulation and design of a scramjet intake using two different RANS solvers. 43rd AIAA/ASME/SAE/ASEE Joint Propulsion Conference, Cincinnati, OH, American Institute of Aeronautics and Astronautics.

Krause, M. and J. Ballmann (2008). Application of a Correlation Based Intermittency Model for Hypersonic Intake Flows. Deutscher Luft und Raumfahrtkongress 2008, Darmstadt.

Krause, M., M. Behr, et al. (2008). Modelling of Transition Effects in Hypersonic Intake Flows Using a Correlation-Based Intermittency Model. AIAA International Space Planes and Hypersonic Systems and Technologies Conference, Dayton, Ohio, USA.

Krause, M., B. Reinartz, et al. (2006). Numerical Computations for Designing a Scramjet Intake. 25th International Congress of the Aeronautical Sciences, Hamburg/Germany.

Krause, M., B. Reinartz, et al. (2006). Numerical Investigation and Simulation of Transition Effects in Hypersonic Intake Flows. High Performance Computing in Science and Engineering `06, Transactions of the High Performance Computing Centre Stuttgart (HLRS), Stuttgart.

Kushnir, D., J. Schumacher, et al. (2006). "Geometry of intensive scalar dissipation events in turbulence." Phys. Rev. Lett. 97: 124502.

Mellado, J. P., L. Wang, et al. (2009). "Gradient trajectory analysis of a scalar field with external intermittency." J. Fluid Mech. 626: 333.

Michaeli, W., M. Behr, et al. (2009). "Die Design: Automatically Optimizing Profile Dies." Kunststoffe International 7: 28-30.

Nicolai, M. (2009). Towards Shape Optimization for Fluids Involving Complex Shape Parameterization. SIAM Conference on Computational Science and Engineering (CSE09), Miami.

Papadopoulos, D., M. Voda, et al. (2008). "Magnetic Field Simulations in Support of Quantification with NMR." Chemical Engineering Science accepted.

Pauluis, O. and J. Schumacher (2010). "Idealized moist Rayleigh-Benard convection with piecewise linear equation of state." Comm. Math. Sci. 8: 295.

Peters, T. and J. Schumacher (2007). "Two-way coupling of FENE dumbbells with a turbulent shear flow." Phys. Fluids 19: 065109.

Probst, M., M. Lülfesmann, et al. (2010). "Sensitivity analysis for artificial grafts using automatic differentiation." International Journal for Numerical Methods in Fluids 62: 1042-1062.

Probst, M., M. Lülfesmann, et al. (2010). "Sensitivity of optimal shapes of artificial grafts with respect to flow parameters." Computer Methods in Applied Mechanics and Engineering 199: 997-1005.

Probst, M., M. Nicolai, et al. (2009). Shape Optimization and Sensitivity Analysis with Applications in Complex Fluids. 14th Belgian-French-German Conference on Optimization, Leuven.

Reimer, L., C. Braun, et al. (2006). Analysis of the Static and Dynamic Aero-Structural Response of an Elastic Swept Wing Model by Direct Aeroelasic Simulation. 25th International Congress of the Aeronautical Sciences (ICAS), Hamburg.

Reimer, L., C. Braun, et al. (2006). Computational Study of Aeroelastic Equilibrium Configuration of a Swept Wind Tunnel Wing Model in Subsonic Flow. High Performance Computing in Science and Engineering '06, Springer.

Reimer, L., C. Braun, et al. (2007). Computational Aeroelastic Analysis and Design of the HIRENASD Wind Tunnel Wing Model and Tests. International Forum on Aeroelasticity and Strucural Dynamics (IFASD), Stockholm, Sweden.

Reinartz, B. and J. Ballmann (2007). Computation of Hypersonic Double Wedge Shock / Boundary Layer Interaction. 26th International Symposium on Shock Waves (ISSW 26), Göttingen, Germany, Springer.

Reinartz, B., J. Ballmann, et al. (2006). Numerical investigation of wall temperature and entropy layer Effects on double wedge shock : boundary layer interactions. 14th AIAA/AHI International Space Planes and Hypersonic Systems and Technologies Conference, Canberra, Australia, American Institute of Aeronautics and Astronautics.

Reinartz, B., J. Ballmann, et al. (2007). Shock Wave / Boundary Layer Interaction in Hypersonic Intake Flows. Proceedings of 2nd European Conference on Aero-Space Sciences (EUCASS), Brussels, Belgium.

Reinartz, B. and M. Behr (2008). Computational Analysis of a 3D Hypersonic Intake for Experimental Testing at Mach 8. 15th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, Dayton, Ohio, USA.

Schumacher, J. (2004). "Relation between shear parameter and Reynolds number in statistically stationary turbulent shear flows." Phys. Fluids 16: 3094.

Schumacher, J. (2005). Turbulence in the presence of mean gradients. Physik. Marburg, Philipps-Universität. Habilitation.

Schumacher, J. (2006). Reynolds number effects on the mixing of scalars. IUTAM Symposium on New Perspectives in Computational Physics and Turbulence, Nagoya, Springer.

Schumacher, J. (2007). Locally varying dissipation scales in turbulent flows. Proceedings of Turbulence and Shear Flow Phenomena 5, München.

Schumacher, J. (2007). "Sub-Kolmogorov-Scale Fluctuations in Fluid Turbulence." Europhys. Lett. 80: 54001.

Schumacher, J. (2008). "Lagrangian dispersion and heat transport in convective turbulence." Phys. Rev. Lett. 100: 134502.

Schumacher, J. (2008). "Turbulence in large-aspect-ratio convection cells." InSiDE - Innovatives Supercomputing in Deutschland 6 (1): 14.

Schumacher, J. (2009). "Lagrangian studies in convective turbulence." Phys. Rev. E 79: 056301.

Schumacher, J., M. Boltes, et al. (2008). "Enstrophy amplification events in three-dimensional turbulence." Chaos 18: 041103.

Schumacher, J., B. Eckhardt, et al. (2010). "Extremal vorticity growth in Navier-Stokes turbulence." Phys. Lett. A 374: 861.

Schumacher, J., M. S. Emran, et al. (2008). The fine-scale structure of turbulence. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Schumacher, J. and O. Pauluis (2010). "Buoyancy statistics in moist turbulent Rayleigh-Benard convection." J. Fluid Mech. in press.

Schumacher, J. and M. Puetz (2007). Turbulence in laterally extended systems. Proceedings of PARCO 2007, Jülich/Aachen.

Schumacher, J. and K. R. Sreenivasan (2005). "Statistics and geometry of passive scalar fields in turbulence." Phys. Fluids 17: 125107.

Schumacher, J., K. R. Sreenivasan, et al. (2007). "Asymptotic scaling exponents from low-Reynolds number flows." New. J. Phys. 9: 89.

Schumacher, J., K. R. Sreenivasan, et al. (2005). "Very fine structures in scalar mixing." J. Fluid Mech. 531: 113.

Schumacher, J., H. Zilken, et al. (2005). "Scalar dissipation fronts in high-Schmidt number mixing, Chaos." Chaos 15: 041105.

Sreenivasan, K. R. and J. Schumacher (2010). "Lagrangian views on passive scalar turbulent mixing." Phil. Trans. Roy. Soc. in press.

Thess, A., D. Krasnov, et al. (2007). "Transition to Turbulence in the Hartmann Boundary Layer." GAMM-Mitt. 30: 125-132.

Viré, A., D. Krasnov, et al. (2007). Parallel Simulation of Magnetohydrodynamic Flows. ParCo 2007, NIC Series Volume 38, ISBN 9783981084344, John von Neumann Institute for Computing.

Votyakov, E. and E. Zienicke (2007). "Numerical study of liquid metal flow in a rectangular duct under the influence of a heterogeneous magnetic field." Fluid Dynamics & Materials Processing 3: 97-113.

Votyakov, E. V., Y. Kolesnikov, et al. (2007). "Structure of the Wake in a Magnetic Obstacle,." Phys. Rev. Lett. 98: 144504.

Votyakov, E. V., E. Zienicke, et al. (2008). "Constrained flow around a magnetic obstacle." J. Fluid Mech. 610: 131-156.

Votyakov, E. V., E. Zienicke, et al. (2005). MHD-channel flow of liquid metal under an inhomogenous magnetic field. Part 2: Direct numerical simulation. Proc. Joint 15th Riga and 6th Pamir International Conference 2005, Vol. 1, 215-218, Riga.

Votyakov, E. V., E. Zienicke, et al. (2006). Liquid metal flow under the influence of heterogenous magnetic field: Numerical study. The 5th International Symposium on Electromagnetic Processing of Materials; pp. 139-144, Sendai, Japan.

Weigand, B., U. Gaisbauer, et al. (2006). _Das_ Graduiertenkolleg 1095/1: Aero-Thermodynamische Auslegung eines Scramjet-Antriebssystems für zukünftige Raumtransportsystem. Proceedings of Deutscher Luft- und Raumfahrtkongress (DGLR), Braunschweig, Germany.

Wellmer, G. (2007). Development of a Preprocessor for the Generation of Structural Beam Models for Multidisciplinary Optimisation. Deutscher Luft- und Raumfahrt Kongress 2007 / 1st Council of the European Aerospace Societies (CEAS) European Air and Space Conference, Berlin.

Wellmer, G., B. Chen, et al. (2007). Numerical Prediction of Aeroelastic Effects on Twin-Sting-Rig Mounted Models for Rear Fuselage and Empennage Flow Investigation in Transonic Windtunnel. International Forum on Aeroelasticity and Structural Dynamics (IFASD), Stockholm, Schweden.

Wylie, B., M. Geimer, et al. (2007). Performance analysis and tuning of the XNS CFD solver on Blue Gene/L. Recent advances in parallel virtual machine and message passing interface : 14th European PVM/MPI User's Group Meeting, Springer.

Zeng, P., B. Binninger, et al. (2009). Simulation of primary breakup for diesel spray with phase transition. 11th Triennial Conference on Liquid Atomization and Spray Systems.

Zeng, P., S. Sarholz, et al. (2009). Simulation of Primary Breakup for Diesel Spray with Phase Transition. Recent Advances in Parallel Virtual Machine and Message Passing Interface, Springer: Lecture Notes in Computer Science: 313-320.

Zienicke, E. (2003). Numerische Untersuchungen von Instabilitäten der Fluiddynamik und Magnetofluiddynamik, TU Ilmenau. Habilitationsschrift.

Zienicke, E., T. Boeck, et al. (2006). Transition to turbulence in magnetohydrodynamic channel flow of liquid metals. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Zienicke, E. and D. Krasnov (2005). "Parametric study of the streak breakdown mechanism in hartmann flow." Phys. Fluids 17: 114101.

Zienicke, E. and D. Krasnov (2005). Parametric study of the streak breakdown mechanism in Hartmann flow. Proc. Joint 15th Riga and 6th Pamir International Conference 2005, Vol. 1, 124-128, Riga.

Umwelt (67)

Alkhatib, H. (2007). On Monte Carlo methods with applications to the current satellite gravity missions. Bonn, Universität Bonn. Doktorarbeit.

Alkhatib, H. and W.-D. Schuh (2007). "Integration of the Monte Carlo covariance estimation strategy into tailored solution procedures for large-scaled least squares problems." J. Geodesy 70: 53-66.

Boxhammer, C. (2006). Effiziente numerische Verfahren zur sphärischen harmonischen Analyse von Satellitendaten. Bonn, Universität Bonn. Doktorarbeit.

Boxhammer, C. and W.-D. Schuh (2006). GOCE gravity field modeling: computational aspects - free kite numbering scheme. Observation of the Earth System from Space. C. R. R. Rummel, M. Rothacher, G. Boedecker, U. Schreiber, J. Flury. Berlin - Heidelberg, Springer: pp. 209-224.

Breuer, M. (2005). The role of inertia in convectively driven flows - a numerical investigation. Münster, Universität Münster. Doktorarbeit.

Breuer, M., S. Wesseling, et al. (2004). "Effect of inertia in Rayleigh Benard Convection." Phys. Rev. E 69: 026302.

Brockmann, J. M. (2008). Effiziente Varianzkomponenentenschätzung über iterative Techniken bei der GOCE--Daten Prozessierung. Bonn, Universität Bonn. Diplomarbeit.

Brockmann, J. M. and W.-D. Schuh (2008). Fast variance component estimation in GOCE data processing. Gravity, Geoid and Earth Observation, accepted, Springer.

Doicu, A., S. Hilgers, et al. (2007). "Information operator approach and iterative regularization methods for atmospheric remote sensing." Journal of Quantitative Spectroscopy and Radiative Transfer 103(2): 340-350.

Friess, U., P. S. Monks, et al. (2006). "MAX-DOAS O4 measurements: A new technique to derive information on atmospheric aerosols - Retrieval of aerosol properties." J. Geophys. Res. 111: D14203.

Gottschaldt, K.-D. (2004). Vermischung in 3D sphärischen Konvektionsmodellen des Erdmantels. Jena, Friedrich-Schiller-Universität. PhD.

Gottschaldt, K.-D., U. Walzer, et al. (2006). "Stirring in 3-d spherical models of convection in the Earth’s mantle." Philosophical Magazine 86: 3175-3204.

Harder, H. and U. Hansen (2005). "A finite volume solution method for thermal convection and dynamo problems in spherical shells." Geophys. J. Int. 161: 522.

Heinold, B., J. Helmert, et al. (2007). "Regional modeling of Saharan dust events using LM-MUSCAT: Model description and case studies." Journal of Geophysical Research (D) 112: D11204.

Heinold, B., A. Tilgner, et al. (2005). "Meteorological characterisation of the FEBUKO hill cap cloud experiments, Part mII: Tracer experiments and flow characterisation with nested non-hydrostatic atmospheric models." Atm. Env. 39: 4195.

Hendrick, F., M. V. Roozendael, et al. (2006). "Intercomparison exercise between different radiative transfer models used for the interpretation of ground-based zenith-sky and multi-axis DOAS observations." Atmos. Chem. Phys. 6: 93-108.

Huttig, C. and K. Stemmer (2008). "Finite volume discretization for dynamic viscosities on Voronoi grids, Physics of the Earth and Planetary Interiors." in press.

Huttig, C. and K. Stemmer (2008). "The spiral grid: A new approach to discretize the sphere and its application to mantle convection." Geochem. Geophys. Geosyst. 9: 13.

Jacobi, H.-W., L. Kaleschke, et al. (2006). "Observation of a fast ozone loss in the marginal ice zone of the Arctic Ocean,." J. Geophys. Res. 111: D15309.

Jahn, S. (2008). Fluids under extreme conditions of pressure and temperature and their role in geological processes. NIC Symposium 2008, Jülich, John von Neumann Institute for Computing.

Jahn, S. and B. Wunder (2009). "Lithium speciation in aqueous fluids at high P and T studied by ab initio molecular dynamics and consequences for Li-isotope fractionation between minerals and fluids." Geochimica et Cosmochimica Acta 73: 5428.

King, E. M., S. Stellmach, et al. (2009). "Boundary layer control of rotating convection systems." Nature 457: 301.

Koch, K.-R., J. Kusche, et al. (2004). "Parallel Gibbs Sampling for Computing and Propagating Large Covariance Matrices." Zeitschrift für Vermessungswesen 129: 32-427.

Lieber, M. and R. Wolke (2008). "Optimizing the coupling in a parallel air quality model system." Environmental Modelling & Software 23: 235.

Loddoch, A. (2007). Temporal variations in the convective style of planetary mantles. Münster, Universität Münster. Doktorarbeit.

Loddoch, A. and J. Schmalzl (2006). "Variable quality compression of fluid dynamical data sets using a 3-D DCT technique." Geochem. Geophys. Geosyst. 7: Q01003.

Loddoch, A., C. Stein, et al. (2006). "Thermal variations in the convective style of planetary mantles." Earth Planet. Sci. Lett. 251: 79.

Pail, R., B. Metzler, et al. (2007). "GOCE-Schwerefeldprozessierung: Software-Architektur und Simulationsergebnisse." Zeitschrift für Vermessungswesen 132: 16.

Pail, R., W.-D. Schuh, et al. (2005). GOCE Gravity Field Processing. Gravity, Geoid and Space Missions (Lecture Notes in Earth Sciences 129). L. B. C. Jekeli, J. Fernandes. Berlin - Heidelberg - New York, Springer.

Przybilla, J. (2007). Akustische und elastische Energietransfertheorie in kontinuierlichen Zufallsmedien und ihre Anwendugn in der Seismologie. Fakultät für Physik und Geowissenschaften. Leipzig, Universität Leipzig. Doktorarbeit.

Przybilla, J. and M. Korn (2007). "Monte Carlo simulations of radiative transfer in continuous elastic random media - Three-component envelopes and numerical validation." Geophys. J. In. submitted.

Przybilla, J., M. Korn, et al. (2006). "Radiative transfer of elastic waves versus finite difference simulations in two-dimensional random media." J. geophys. Res. 111: B04305.

Rozanov, V. V. and A. V. Rozanov (2007). "Generalized form of the direct and adjoint radiative transfer equations." Journal of Quantitative Spectroscopy & Radiative Transfer 104: 155-170.

Schuh, W.-D., H. Alkhatib, et al. (2006). Numerical Challenges for GOCE Data Analysis. Status Seminar Geotechnologien, Bonn.

Schuh, W.-D., C. Boxhammer, et al. (2006). Correlations, variances, covariances — from GOCE signals to GOCE products. 3rd Int. GOCE user workshop, ESA.

Schuh, W.-D. and B. Kargoll (2004). The numerical treatment of the downward continuation problem for the gravitypotential in: Lecture Notes in Earth Sciences 127. p. 22. V. Hotine-Marussi-Symposium, Springer.

Sehili, A.-M., R. Wolke, et al. (2005). "Comparison of different model approaches for the simulation of multiphase processes." Atm. Env. 39: 4403.

Sehili, A.-M., R. Wolke., et al. (2007). Cloud chemistry modeling: A comparison between parcel and 3-D simulations. Air Pollution Modelling and its Applications XVII, Springer, New York.

Sheode, N., B.-M. Sinnhuber, et al. (2006). "Towards a climatology of stratospheric bromine monoxide from SCIAMACHY limb observations." Atmos. Chem. Phys. Discuss. 6: 6431-6466.

Siemes, C. (2008). Digital Filtering Algorithms for Decorrelation within Large Least Square Problems. Bonn, Universität Bonn. Doktorarbeit.

Sierk, B., A. Richter, et al. (2006). "Retrieval and Monitoring of Atmospheric Trace Gas Concentrations in Nadir and Limb Geometry Using the Space-Borne SCIAMACHY instrument." Environmental Monitoring and Assessment 120: 65-77.

Stein, C. (2005). The effect of rheological parameters on plate-like features in a self-consistent mantle convection model. Münster, UNiversität Münster. Doktorarbeit.

Stein, C. and U. Hansen (2007). "Plate motions and the viscosity structure of the Earth's mantle - Insights from numerical modelling." Earth Planet. Sci. Lett. submitted.

Stein, C. and U. Hansen (2008). "Arrhenius rheology vs. Frank-Kamenetskii rheology: Implications for mantle dynamics." submitted.

Stein, C. and U. Hansen (2008). "Plate motions and the viscosity structure of the Earth's mantle - Insights from numerical modelling." Earth Planet. Sci. Lett. 272: 29-40.

Stein, C., J. Schmalzl, et al. (2004). "The effect of rheological parameters on the plate behaviour in a self-consistent model of mantle convection." Phys. Planet. Inter. 142: 225.

Stellmach, S. (2005). Konvektion und Magnetfelderzeugung in einer rotierenden Flüssigkeitsschicht. Münster, Universität Münster. Doktorarbeit.

Stellmach, S. (2007). "An Efficient Spectral Method for the Simulations of Dynamos in Cartesian Geometry and its Implementation on Massively Parallel Computers." Geochem. Geophys. Geosyst. in press.

Stellmach, S. and U. Hansen (2004). "Small Ekman number dynamo calculations in Cartesian geometry." Phys. Rev. E 69: 056312.

Stemmer, K. (2006). Eine neue Methode zur Simulation von Konvektion mit variabler Viskosität in einer Kugelschale: Anwendungen auf den Erdmantel. Münster, Universität Münster. Doktorarbeit.

Stemmer, K., H. Harder, et al. (2006). "The effect of strongly temperature- and pressure-dependent viscosity on mantle convection in a spherical shell." Phys. Earth Planet. Int. 157: 223.

Wagner, T., J. P. Burrows, et al. (2006). "Comparison of Box-Air-Mass-Factors and Radiances for Multiple-Axis Differential Optical Absorption Spectroscopy (MAX-DOAS) Geometries calculated from different UV/visible Radiative Transfer Models." Atmos. Chem. Phys. Discuss. 6: 9823-9876.

Walzer, U. (2008). Geodynamik und Lebenentstehung und -erhaltung. Lebensentstehung und Lebenserhaltung. P. Kunzmann and N. Knoepffler. Freiburg, Alber-Verlag Freiburg i.Br. accepted.

Walzer, U. and R. Hendel (2008). Predictability of Rayleigh-number and continental-growth evolution of a dynamic model of the Earth's mantle. High Perf. Comp. Sci. Engng. '08, pp. 585-600, Springer.

Walzer, U., R. Hendel, et al. (2004). Generation of plate-tectonic behavior and a new viscosity profile of the Earth's mantle. NIC Symposium, Jülich, John von Neumann Institute for Computing.

Walzer, U., R. Hendel, et al. (2004). "Viscosity stratification and a 3D compressible spherical shell model of mantle evolution." High Perf. Comp. Sci. Eng. 03: 27-67.

Walzer, U., R. Hendel, et al. (2004). "The effects of a variation of the radial viscosity profile on mantle evolution." Tectonophysics 384: 55-90.

Walzer, U., R. Hendel, et al. (2005). Toward a thermochemical model of the evolution of the Earth's mantle. High Performance Computing in Science and Engineering ’04, Springer Verlag, Berlin Heidelberg New York.

Walzer, U., R. Hendel, et al. (2006). Plateness of the oceanic lithosphere and the Thermal evolution of the Earth's mantle. High Performance Computing in Science and Engineering '05, pp 289-304, Springer-Verlag, Berlin Heidelberg New York.

Walzer, U., R. Hendel, et al. (2007). "Continental Growth and Thermal Convection in the Earth's Mantle." High Perf. Comp. Sci. Eng. '06: 473-497.

Walzer, U., R. Hendel, et al. (2008). "Mantle convection and evolution with growing continents." J. Geophys. Res. 113: B09405.

Walzer, U., R. Hendel, et al. (2008). Whole-Mantle Convection, Continent Generation, and Preservation of Geochemical Heterogeneity. High Performance Computing in Science and Engineering '07 pp. 603-645.

Walzer, U., R. Hendel, et al. (2008). Andean orogeny and plate generation. High Perf. Comp. Sci. Engng. '08, pp. 559-583, Springer.

Wicht, J., S. Stellmach, et al. (2007). Dynamo simulations. Proceedings des DFG Schwerpunktes Geomagnetische Variationen, accepted, Springer.

Wolke, R., O. Hellmuth, et al. (2004). The chemistry-transport modeling system LM-MUSCAT: Description and CityDelta applications. Air Pollution Modeling and Its Applications XVI, Kluver Academic / Plenum Publishers, New York.

Wolke, R., O. Knoth, et al. (2004). The parallel model system LM-MUSCAT for chemistry-transport simulations: Coupling scheme, parallelization and application. Parallel computing: Software technology, algorithms, architectures and applications, Elsevier.

Wunder, B., S. Jahn, et al. (2007). "Ab initio molecular dynamics study of Li speciation in aqueous fluid at high pressure." Geochimica et Cosmochimica Acta 71: A1128.