PHYSSunday, 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 AMMultiple 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 AMDetermining phase transformation mechanisms in solids
Emily A. Carter
9:40 AMAtomistic simulations of rare events: Extending the time scale by temperature-accelerated dynamics
Francesco Montalenti
10:20 AMIntermission
10:40 AMApplications 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 AMThermal activation in nanomechanical processes
Ju Li, Ting Zhu
11:40 AMVery-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