CPP 29: Computational Techniques
Freitag, 31. März 2006, 10:30–11:45, ZEU 160
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10:30 |
CPP 29.1 |
First-principles calculation of noncovalent interactions - Diffusion Monte Carlo applied to hydrogen bonding and aromatic stacking — •M. Fuchs, C. Filippi, J. Ireta, and M. Scheffler
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10:45 |
CPP 29.2 |
Modeling multi-body effects in ionic solutions with a concentration dependent dielectric permittivity — •Berk hess, Christian Holm, and Nico van der Vegt
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11:00 |
CPP 29.3 |
Some computational techniques for first-principles simulations on condensed matter systems — •Alberto Castro, M. A. L. Marques, Heiko Appel, Angel Rubio, and E. K. U. Gross
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11:15 |
CPP 29.4 |
Monte Carlo algorithms for electrostatic interactions in dielectric media — •Igor Pasichnyk, Ralf Everaers, and Anthony Maggs
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11:30 |
CPP 29.5 |
Investigation of the condensation kinetics of methanol by molecular dynamics simulation — •Björn Fischer and Thomas Kraska
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