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Published in

IOP Publishing, Journal of Physics: Conference Series, (454), p. 012031, 2013

DOI: 10.1088/1742-6596/454/1/012031

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Sampling from a polytope and hard-disk Monte Carlo

Journal article published in 2013 by Sebastian C. Kapfer, Werner Krauth
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The hard-disk problem, the statics and the dynamics of equal two-dimensional hard spheres in a periodic box, has had a profound influence on statistical and computational physics. Markov-chain Monte Carlo and molecular dynamics were first discussed for this model. Here we reformulate hard-disk Monte Carlo algorithms in terms of another classic problem, namely the sampling from a polytope. Local Markov-chain Monte Carlo, as proposed by Metropolis et al. in 1953, appears as a sequence of random walks in high-dimensional polytopes, while the moves of the more powerful event-chain algorithm correspond to molecular dynamics evolution. We determine the convergence properties of Monte Carlo methods in a special invariant polytope associated with hard-disk configurations, and the implications for convergence of hard-disk sampling. Finally, we discuss parallelization strategies for event-chain Monte Carlo and present results for a multicore implementation.