Successive Umbrella Sampling

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dc.creatorVirnau, P.
dc.creatorMueller, M.
dc.date2003-06-26
dc.date.accessioned2026-07-07T02:52:04Z
dc.date.available2026-07-07T02:52:04Z
dc.descriptionWe propose an extension of umbrella sampling in which the pertinent range of states is subdivided in windows that are sampled consecutively and linked together. Extrapolating results from one window we estimate a weight function for the neighboring window. We present a detailed analysis and demonstrate that the error is controlled and independent from the window sizes. The analysis also allows us to detect sampling difficulties. The efficiency of the algorithm is comparable to a multicanonical simulation with an ideal weight function. We exemplify the computational scheme by simulating the liquid-vapor coexistence in a Lennard--Jones system.
dc.description4 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0306678
dc.identifierhttp://arxiv.org/abs/cond-mat/0306678
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/21703
dc.subjectStatistical Mechanics
dc.subjectSoft Condensed Matter
dc.titleSuccessive Umbrella Sampling
dc.typetext

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