PHYSMonday, 11 September 2006

8:20 AM-12:00 PM Grand Hyatt San Francisco -- San Miguel, Oral
Theory of Rare Events and Accelerated Dynamics
Accelerated Dynamics and Kinetic Monte Carlo
Organizer:Graeme Henkelman
Organizer, Presiding:Arthur F. Voter
8:20 AMApplications of accelerated molecular dynamics in materials science
Blas Pedro Uberuaga
9:00 AMAccelerated dynamics for diffusive processes with entropic and energetic barriers
Steven J. Stuart, Brad M. Dickson, Predrag Krstic
9:40 AMProjective dynamics and rejection-free methods for accelerated dynamic Monte Carlo simulations
Mark A. Novotny
10:20 AMIntermission
10:40 AMSimulating extended time and length scales using parallel kinetic Monte Carlo and parallel accelerated dynamics
Jacques G. Amar, Yunsic Shim, Blas Pedro Uberuaga, Arthur F. Voter
11:20 AMSystems tasks in nanotechnology via hierarchical multiscale modeling: Nanopattern formation in heteroepitaxy
Dionisios G Vlachos, Abhijit Chatterjee
11:40 AMA general method to extend molecular dynamics timescale in atomistic entropic systems: Time-space compression, pair-correlation approximation and applications
Xin Zhou

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The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006