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Dresden 2006 – scientific programme

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CPP: Chemische Physik und Polymerphysik

CPP 29: Computational Techniques

Friday, March 31, 2006, 10:30–11:45, ZEU 160

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
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
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
11:15 CPP 29.4 Monte Carlo algorithms for electrostatic interactions in dielectric media — •Igor Pasichnyk, Ralf Everaers, and Anthony Maggs
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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