Using bijective maps to improve free energy estimates

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dc.creatorHahn, A. M.
dc.creatorThen, H.
dc.date2008-09-12
dc.date.accessioned2026-07-07T12:29:24Z
dc.date.available2026-07-07T12:29:24Z
dc.descriptionWe derive a fluctuation theorem for generalized work distributions, related to bijective mappings of the phase spaces of two physical systems, and use it to derive a two-sided constraint maximum likelihood estimator of their free energy difference which uses samples from the equilibrium configurations of both systems. As an application, we evaluate the chemical potential of a dense Lennard-Jones fluid and study the construction and performance of suitable maps.
dc.description17 pages, 11 figures
dc.identifierhttps://arxiv.org/abs/0809.2256
dc.identifierhttp://arxiv.org/abs/0809.2256
dc.identifierPhys. Rev. E 79, 011113 (2009)
dc.identifierdoi:10.1103/PhysRevE.79.011113
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/215867
dc.subjectStatistical Mechanics
dc.titleUsing bijective maps to improve free energy estimates
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