Multi-point nonequilibrium umbrella sampling and associated fluctuation relations

DOI10.1088/1742-5468/AAC915MaRDI QIDQ4964640zbMATH OpenOpenAlexFDO

Authors Stephen Whitelam

Publication date 2 March 2021

Published in Journal of Statistical Mechanics: Theory and Experiment (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1803.04373

Mathematics Subject Classification ID

Large deviations (60F10) Computational methods in Markov chains (60J22) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31)

Abstract: We describe a simple method of umbrella trajectory sampling for Markov chains. The method allows the estimation of large-deviation rate functions, for path-extensive dynamic observables, for an arbitrary number of models within a certain family. The general relationship between probability distributions of dynamic observables of members of this family is an extended fluctuation relation. When the dynamic observable is chosen to be entropy production, members of this family include the forward Markov chain and its time reverse, whose probability distributions are related by the expected simple fluctuation relation.

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Cites work

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Cited in

(4)

• Adaptive umbrella sampling: Self-consistent determination of the non- Boltzmann bias
• Fluctuation relations for non-Markovian and heterogeneous temperature systems
• Nonequilibrium umbrella sampling and the functional Crooks fluctuation theorem
• Equilibrium sampling from nonequilibrium dynamics

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