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Parallel Markov chain Monte Carlo simulations
Authors:Ren Ruichao  Orkoulas G
Affiliation:Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, California 90095, USA. ruichao@ucla.edu
Abstract:With strict detailed balance, parallel Monte Carlo simulation through domain decomposition cannot be validated with conventional Markov chain theory, which describes an intrinsically serial stochastic process. In this work, the parallel version of Markov chain theory and its role in accelerating Monte Carlo simulations via cluster computing is explored. It is shown that sequential updating is the key to improving efficiency in parallel simulations through domain decomposition. A parallel scheme is proposed to reduce interprocessor communication or synchronization, which slows down parallel simulation with increasing number of processors. Parallel simulation results for the two-dimensional lattice gas model show substantial reduction of simulation time for systems of moderate and large size.
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