Accurate sampling using Langevin dynamics

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dc.creatorBussi, Giovanni
dc.creatorParrinello, Michele
dc.date2008-03-28
dc.date.accessioned2026-07-07T09:29:08Z
dc.date.available2026-07-07T09:29:08Z
dc.descriptionWe show how to derive a simple integrator for the Langevin equation and illustrate how it is possible to check the accuracy of the obtained distribution on the fly, using the concept of effective energy introduced in a recent paper [J. Chem. Phys. 126, 014101 (2007)]. Our integrator leads to correct sampling also in the difficult high-friction limit. We also show how these ideas can be applied in practical simulations, using a Lennard-Jones crystal as a paradigmatic case.
dc.identifierhttps://arxiv.org/abs/0803.4083
dc.identifierhttp://arxiv.org/abs/0803.4083
dc.identifierG. Bussi and M. Parrinello, Phys. Rev. E 75, 056707 (2007)
dc.identifierdoi:10.1103/PhysRevE.75.056707
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/157680
dc.subjectComputational Physics
dc.subjectStatistical Mechanics
dc.titleAccurate sampling using Langevin dynamics
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