The DFG-Priority Program 1145 Modern and universal first-principles methods for many-electron systems in chemistry and physics in cooperation with the GAMM Committee Efficient numerical methods for pdes and the Christian-Albrechts-University of Kiel organises the workshop
1st Scientific Computing Seminar
Numerical Analysis in Quantum Chemistry
Christian-Albrechts-University of Kiel, Germany
June 28th to 30th, 2004.
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Scientific programme on Wednesday, 30th of June, 2004
| Time | Author(s) / Speaker / Title of the lecture | |
|---|---|---|
| - | Opening of Wednesday session | |
| 8.30 - 9.30 |  | Christian Lubich (Tübingen): Variational splitting integrators for quantum molecular dynamics |
| 9.30 - 10.00 | | Illia Horenko, Burkhard Schmidt, Christof Schütte, Martin Weiser (Berlin) Fully Adaptive Propagators in Molecular Dynamics |
| - | Coffee break | |
| 10.30 - 11.30 | | Hans-Dieter Meyer (Heidelberg): Multiconfiguration time-dependent Hartree (MCTDH): An efficient method for propagating multi-dimensional wavepackets and density operators |
| 11.30 -12.00 | | Caroline Lasser (München), Stefan Teufel (Warwick, UK): A rigorous surface hopping algorithm |
| 12.00 -12.30 | | Andrew Torda (Hamburg): Protein force fields based on empiricism, optimism and optimisation |
| - | End of Wednesday session and seminar | |