Adaptive Resolution Simulation of Liquid Water

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dc.creatorPraprotnik, Matej
dc.creatorSite, Luigi Delle
dc.creatorKremer, Kurt
dc.creatorMatysiak, Silvina
dc.creatorClementi, Cecilia
dc.date2006-11-21
dc.date2006-12-06
dc.date.accessioned2026-07-07T08:14:22Z
dc.date.available2026-07-07T08:14:22Z
dc.descriptionWe present a multiscale simulation of liquid water where a spatially adaptive molecular resolution procedure allows for changing on-the-fly from a coarse-grained to an all-atom representation. We show that this approach leads to the correct description of all essential thermodynamic and structural properties of liquid water.
dc.description4 pages, 3 figures; changed figure 2
dc.identifierhttps://arxiv.org/abs/cond-mat/0611544
dc.identifierhttp://arxiv.org/abs/cond-mat/0611544
dc.identifierJ. Phys.: Condens. Matter 19, 292201, 2007
dc.identifierdoi:10.1088/0953-8984/19/29/292201
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/133099
dc.subjectSoft Condensed Matter
dc.subjectStatistical Mechanics
dc.titleAdaptive Resolution Simulation of Liquid Water
dc.typetext

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