Path sampling with stochastic dynamics: some new algorithms
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Publication:996516
DOI10.1016/J.JCP.2006.12.006zbMATH Open1147.82301arXivcond-mat/0607650OpenAlexW1965556888MaRDI QIDQ996516FDOQ996516
Authors: Gabriel Stoltz 
Publication date: 14 September 2007
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: We propose here some new sampling algorithms for Path Sampling in the case when stochastic dynamics are used. In particular, we present a new proposal function for equilibrium sampling of paths with a Monte-Carlo dynamics (the so-called ``brownian tube proposal). This proposal is based on the continuity of the dynamics with respect to the random forcing, and generalizes all previous approaches. The efficiency of this proposal is demonstrated using some measure of decorrelation in path space. We also discuss a switching strategy that allows to transform ensemble of paths at a finite rate while remaining at equilibrium, in contrast with the usual Jarzynski like switching. This switching is very interesting to sample constrained paths starting from unconstrained paths, or to perform simulated annealing in a rigorous way.
Full work available at URL: https://arxiv.org/abs/cond-mat/0607650
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