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NIC Series Volume 3: Johannes Grotendorst (Editor)
Winterschool, 21 - 25 February 2000,
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Preface |
| Johannes Grotendorst | |
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Industrial Challenges for Quantum Chemistry |
| Ansgar Schäfer, BASF AG, Ludwigshafen | |
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Ab Initio Treatment of Large Molecules |
| Reinhart Ahlrichs, Simon Elliott, Uwe Huniar, Universität Karlsruhe | |
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Parallel Programming Models, Tools and Performance Analysis |
| Michael Gerndt, Forschungszentrum Jülich | |
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Basic Numerical Libraries for Parallel Systems |
| Inge Gutheil, Forschungszentrum Jülich | |
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Tools for Parallel Quantum Chemistry Software |
| Thomas Steinke, ZIB, Berlin | |
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Ab Initio Methods for Electron Correlation in Molecules |
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Peter Knowles, University of Birmingham, United Kingdom Martin Schütz, Hans-Joachim Werner, Universität Stuttgart |
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R12 Methods, Gaussian Geminals |
| Wim Klopper, Utrecht University | |
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Direct Solvers for Symmetric Eigenvalue Problems |
| Bruno Lang, RWTH Aachen | |
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Semiempirical Methods |
| Walter Thiel, MPI für Kohlenforschung, Mülheim an der Ruhr | |
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Hybrid Quantum Mechanics/Molecular Mechanics Approaches |
| Paul Sherwood, Daresbury Laboratory, United Kingdom | |
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Subspace methods for Sparse Eigenvalue Problems |
| Bernhard Steffen, Forschungszentrum Jülich | |
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Computing Derivatives of Computer Programs |
| Christian Bischof, Martin Bücker, RWTH Aachen | |
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Ab initio Molecular Dynamics: Theory and Implementation |
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Dominik Marx, Ruhr-Universität Bochum, Jürg XS Hutter, Universität Zürich |
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Relativistic Electronic-Structure Calculations for Atoms and Molecules |
| Markus Reiher, Bernd Heß, Universität Erlangen-Nürnberg | |
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Effective Core potentials |
| Michael Dolg, Universität Bonn | |
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Molecular Properties |
| Jürgen Gauß, Universität Mainz | |
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Tensors in Electronic Structure Theory: Basic Concepts and Applications to Electron Correlation Models |
| Martin Head-Gordon, Michael Lee, Paul Maslen, Troy van Voorhis, Steven Gwaltney, University of California at Berkeley, USA | |
last change 24.02.2011 |
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