About: Parallelized Sampling of the Gibbs Ensemble.

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	An expression for the probability distribution of NVT-like sub-ensembles constituting the Gibbs ensemble is derived. Knowledge of this distribution makes it possible to carry out the simulation without the explicit exchange of real particles between the simulation boxes and to evaluate directly any Gibbs ensemble average from a series of independent simultaneous simulations (Monte Carlo or molecular dynamics) performed on a set of NVT-like sub-ensembles with the fixed distribution of particles. An implementation of the method, which is tailored mainly for complex systems, is exemplified for the square-well fluid, and its efficiency and results are compared with those obtained from the conventional Gibbs ensemble simulations. An expression for the probability distribution of NVT-like sub-ensembles constituting the Gibbs ensemble is derived. Knowledge of this distribution makes it possible to carry out the simulation without the explicit exchange of real particles between the simulation boxes and to evaluate directly any Gibbs ensemble average from a series of independent simultaneous simulations (Monte Carlo or molecular dynamics) performed on a set of NVT-like sub-ensembles with the fixed distribution of particles. An implementation of the method, which is tailored mainly for complex systems, is exemplified for the square-well fluid, and its efficiency and results are compared with those obtained from the conventional Gibbs ensemble simulations. (en)
Title	Parallelized Sampling of the Gibbs Ensemble. Parallelized Sampling of the Gibbs Ensemble. (en)
skos:prefLabel	Parallelized Sampling of the Gibbs Ensemble. Parallelized Sampling of the Gibbs Ensemble. (en)
skos:notation	RIV/67985858:_____/00:27000216!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	1887;1894
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/99/0134), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Strnad, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	721137
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/00:27000216
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	N/A (en)
http://linked.open.../riv/klicoveSlovo	N/A
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[81330A3DECA2]
http://linked.open...i/riv/nazevZdroje	Molecular Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Behavior of fluids at very high pressures: theory and applications
http://linked.open...UplatneniVysledku	2000
http://linked.open...v/svazekPeriodika	98
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Strnad, Martin
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0026-8976
number of pages	8 (xsd:int)

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