Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique

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dc.creatorMousseau, Normand
dc.creatorBarkema, G. T.
dc.date2003-10-17
dc.date.accessioned2026-07-07T02:54:16Z
dc.date.available2026-07-07T02:54:16Z
dc.descriptionWe present an accelerated algorithm that samples correctly the thermodynamic ensemble in complex systems where the dynamics is controlled by activation barriers. The efficiency of the thermodynamically-weighted activation-relaxation technique (THWART) is many orders of magnitude greater than standard molecular dynamics, even at room temperature and above, in systems as complex as proteins and amorphous silicon.
dc.description4 pages, 4 postscript figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0310422
dc.identifierhttp://arxiv.org/abs/cond-mat/0310422
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22477
dc.subjectMaterials Science
dc.titleEfficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique
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