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Multi-particle Sampling in Monte-Carlo Simulations on Fluids: Efficiency and Extended Implementations
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SYSNO ASEP 0325167 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Multi-particle Sampling in Monte-Carlo Simulations on Fluids: Efficiency and Extended Implementations Title Více částicové vzorkování v Monte-Carlo simulacích tekutin: Efektivita a implementace Author(s) Moučka, F. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAISource Title Molecular Simulation. - : Taylor & Francis - ISSN 0892-7022
Roč. 35, č. 8 (2009), s. 660-672Number of pages 13 s. Language eng - English Country GB - United Kingdom Keywords multi-particle move MC ; parallelization ; reaction field Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000266247600005 DOI 10.1080/08927020902725572 Annotation Performance of the method is compared with both the standard one-particle move method and available approximate methods. It is shown that the multi-particle move method performs about by a factor of 10 faster for the systems considered when compared with the common Monte Carlo scheme, and several times faster when compared with approximate methods. Parallelized codes of the multi-particle move method may then perform about seventy times faster than the conventional Monte Carlo. These conclusions hold true for the system size simulated because the efficiency of the multi-particle method depends on the size of the system: its efficiency even increases with increasing number of particles. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2009
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