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Center for Nonlinear Studies |
We show how to adapt the parallel replica method, originally due to A.F. Voter for efficient simulation of coarse Langevin molecular dynamics, to discrete and continuous time Markov chains. Though the method only computes dynamics exactly on the coarse scale, we show how it can be used to compute exact long-time and stationary averages on the fine scale. Numerical examples demonstrate the accuracy and efficiency of the methods. *If you would like to meet with the speaker, please contact Enrique Martinez
Host: Enrique Martinez