A new old algorithm, entropy sampling, and/or getting in and out of energy minima

1997/03/27 by M. J. Thill, Thill, M. J.
Physics and Astronomy · #Condensed Matter (cond-mat) #FOS: Physical sciences #cond-mat

paper · pdf · doi:10.48550/arxiv.cond-mat/9703233

Uses aps, prl, multicol, epsf, and revtex; 2 figures

arxiv created 1997/03/27 · arxiv updated 2009/11/30

Abstract

I propose a new algorithm, a free energy Monte Carlo algorithm, for calculations where conventional Monte Carlo simulations struggle with ergodicity problems. The simplest version of the proposed algorithm allows for the determination of the entropy function of statistical systems and/or performs entropy sampling at sufficiently large times. I also mention how this algorithm can be used to explore the system's energy space, in particular for minima.

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