| PHYS | Sunday, 10 September 2006 | ||
8:20 AM-12:00 PM Grand Hyatt San Francisco -- San Miguel, Oral | |||
Theory of Rare Events and Accelerated Dynamics | |||
| Dynamics in Solids | |||
| Organizer: | Arthur F. Voter | ||
| Organizer, Presiding: | Graeme Henkelman | ||
| 8:20 AM | 1 | Multiple time scale simulations using the WKE proceedure and unbiased transition state searches Hannes Jónsson, Graeme Henkelman, Andreas Pedersen, Jean-Claude Berthet, Thomas Bligaard, Finnbogi Oskarsson | |
| 9:00 AM | 2 | Determining phase transformation mechanisms in solids Emily A. Carter | |
| 9:40 AM | 3 | Atomistic simulations of rare events: Extending the time scale by temperature-accelerated dynamics Francesco Montalenti | |
| 10:20 AM | Intermission | ||
| 10:40 AM | 4 | Applications of activated methods to proteins and materials science Normand Mousseau, Gerard T. Barkema, Mykyta V. Chubynsky, Phillipe Derreumaux, Fedwa El-Mellouhi, Henk Vocks | |
| 11:20 AM | 5 | Thermal activation in nanomechanical processes Ju Li, Ting Zhu | |
| 11:40 AM | 6 | Very-low overhead ab initio accelerated dynamics Wolfgang Windl, Weiqi Luo | |
Theory of Rare Events and Accelerated Dynamics -- Next Session
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006