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Nonequilibrium Dynamics and Umbrella Sampling

Williams, Stephen; Evans, Denis

Description

In the past decade there has been considerable interest in nonequilibrium free energy theorems. These theorems show how the difference between the free energies of two equilibrium states of a system are related to distributions of work along nonequilibrium pathways. Here we significantly extend these theorems by relating the possibly inaccessible equilibrium average of any phase variable to the distribution of work along nonequilibrium paths. The result is elegant and analogous to the static...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/60643
Source: Physical Review Letters
DOI: 10.1103/PhysRevLett.105.110601

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