Nonequilibrium Umbrella Sampling and the Functional Crooks Fluctuation Theorem

Stephen R. Williams; Denis J. Evans; Debra J. Searles

doi:10.1007/s10955-011-0281-0

Nonequilibrium Umbrella Sampling and the Functional Crooks Fluctuation Theorem

Stephen R. Williams, Denis J. Evans, Debra J. Searles

Research output: Contribution to journal › Review article › peer-review

4 Citations (Scopus)

Abstract

We review the theoretical underpinning of nonequilibrium umbrella sampling. We provide its historical context and show how it relates to other important results in nonequilibrium statistical mechanics. Its relationships to the generalised Yamada-Kawasaki distribution function is explored. A new functional version of the Crooks Fluctuation Theorem is also presented.

Original language	English
Pages (from-to)	831-840
Number of pages	10
Journal	Journal of Statistical Physics
Volume	145
Issue number	4
DOIs	https://doi.org/10.1007/s10955-011-0281-0
Publication status	Published - Nov 2011

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title = "Nonequilibrium Umbrella Sampling and the Functional Crooks Fluctuation Theorem",

abstract = "We review the theoretical underpinning of nonequilibrium umbrella sampling. We provide its historical context and show how it relates to other important results in nonequilibrium statistical mechanics. Its relationships to the generalised Yamada-Kawasaki distribution function is explored. A new functional version of the Crooks Fluctuation Theorem is also presented.",

keywords = "Dissipation theorem, Fluctuation theorem, Nonequilibrium, Relaxation theorem, Umbrella sampling",

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AU - Williams, Stephen R.

AU - Evans, Denis J.

AU - Searles, Debra J.

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N2 - We review the theoretical underpinning of nonequilibrium umbrella sampling. We provide its historical context and show how it relates to other important results in nonequilibrium statistical mechanics. Its relationships to the generalised Yamada-Kawasaki distribution function is explored. A new functional version of the Crooks Fluctuation Theorem is also presented.

AB - We review the theoretical underpinning of nonequilibrium umbrella sampling. We provide its historical context and show how it relates to other important results in nonequilibrium statistical mechanics. Its relationships to the generalised Yamada-Kawasaki distribution function is explored. A new functional version of the Crooks Fluctuation Theorem is also presented.

KW - Dissipation theorem

KW - Fluctuation theorem

KW - Nonequilibrium

KW - Relaxation theorem

KW - Umbrella sampling

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U2 - 10.1007/s10955-011-0281-0

DO - 10.1007/s10955-011-0281-0

M3 - Review article

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SP - 831

EP - 840

JO - Journal of Statistical Physics

JF - Journal of Statistical Physics

IS - 4

ER -

Nonequilibrium Umbrella Sampling and the Functional Crooks Fluctuation Theorem

Abstract

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