About: Efficient Multiparticle Sampling in Monte Carlo Simulations on Fluids: Application to Polarizable Models.

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About: Efficient Multiparticle Sampling in Monte Carlo Simulations on Fluids: Application to Polarizable Models. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A novel Monte Carlo simulation scheme based on biased simultaneous displacements of all particles of the system has been developed. The method is particularly suited for systems with nonadditive interactions and its efficiency is demonstrated by its implementation for the polarizable Stockmayer fluid. Performance of the method is compared with both the standard one-particle move method and an unbiased multiparticle scheme by computing the mean squared displacements, rotation relaxation, and the speed of equilibration (translational order parameter). It is shown that the proposed biased method is about a factor of 10 faster, for the sys A novel Monte Carlo simulation scheme based on biased simultaneous displacements of all particles of the system has been developed. The method is particularly suited for systems with nonadditive interactions and its efficiency is demonstrated by its implementation for the polarizable Stockmayer fluid. Performance of the method is compared with both the standard one-particle move method and an unbiased multiparticle scheme by computing the mean squared displacements, rotation relaxation, and the speed of equilibration (translational order parameter). It is shown that the proposed biased method is about a factor of 10 faster, for the sys (en) Je navržena nová Monte Carlo metoda založená na současném pokusném pohybu všech částic systému na jednou. Efektivita metody, realizována pro modelové systémy Stockmayerova potenciálu, je o řád lepší než stávající metody. (cs)
Title	Efficient Multiparticle Sampling in Monte Carlo Simulations on Fluids: Application to Polarizable Models. Efficient Multiparticle Sampling in Monte Carlo Simulations on Fluids: Application to Polarizable Models. (en) Efektivní vícečásticové vzorkování Monte Carlo simulací tekutin:Aplikace na polarizovatelné modely. (cs)
skos:prefLabel	Efficient Multiparticle Sampling in Monte Carlo Simulations on Fluids: Application to Polarizable Models. Efficient Multiparticle Sampling in Monte Carlo Simulations on Fluids: Application to Polarizable Models. (en) Efektivní vícečásticové vzorkování Monte Carlo simulací tekutin:Aplikace na polarizovatelné modely. (cs)
skos:notation	RIV/67985858:_____/07:00091473!RIV08-AV0-67985858
http://linked.open.../vavai/riv/strany	224106;224113
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA400720710), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo
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	419362
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/07:00091473
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	molecular dynamics; pair approximation; adiabatic nuclear (en)
http://linked.open.../riv/klicoveSlovo	adiabatic nuclear pair approximation molecular dynamics
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[CCB295322FD0]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Determination of the phase and state behaviour of fluids and fluid mixtures for processes at superambient conditions: molecular-based theory and experiment
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	126
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Rouha, M. Moučka, R.
http://linked.open...n/vavai/riv/zamer	Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection
issn	0021-9606
number of pages	8 (xsd:int)

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