Efficient free energy profile reconstruction using adaptive stochastic perturbation protocols

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dc.creatorPerisic, Ognjen
dc.creatorLu, Hui
dc.date2007-12-31
dc.date.accessioned2026-07-07T08:51:59Z
dc.date.available2026-07-07T08:51:59Z
dc.descriptionApplication of Jarzynski nonequilibrium work relation to free energy calculation is limited by the very slow convergence of the estimate when dissipation is high. We present a novel perturbation protocol able to improve the convergence of Jarzynski estimator when it is applied in the reconstruction of the potential of mean force. The improvement is based on the application of the adaptive external work variation in addition to the one caused by thermal fluctuations.
dc.descriptionLaTeX (revtex4), 4 pages, 4 Postscript figures
dc.identifierhttps://arxiv.org/abs/0801.0178
dc.identifierhttp://arxiv.org/abs/0801.0178
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/145130
dc.subjectStatistical Mechanics
dc.titleEfficient free energy profile reconstruction using adaptive stochastic perturbation protocols
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