Fluctuation relations, free energy calculations and irreversibility

Debra J. Searles; Denis J. Evans

doi:10.1039/B608839M

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Chemical Modelling

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding.

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Fluctuation relations, free energy calculations and irreversibility

Debra J. Searles and Denis J. Evans
Copyright Year:2008
ISBN: 978-0-85404-248-7
eISBN: 978-1-84755-889-3

DOI:10.1039/B608839M

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Abstract
Over the past 15 years a number of important fundamental theorems in nonequilibrium statistical mechanics of many-particle systems have been proved. These proofs result in a number of important relations in nonequilibrium statistical mechanics. In this review we focus on three new relationships: the...