Large scale atomistic polymer simulations using Monte Carlo methods for parallel vector processors

Uhlherr, A; Leak, S; Adam, N; Nyberg, P; Doxastakis, M; Mavrantzas, V; Theodorou, D

dc.contributor.author	Uhlherr, A	en
dc.contributor.author	Leak, S	en
dc.contributor.author	Adam, N	en
dc.contributor.author	Nyberg, P	en
dc.contributor.author	Doxastakis, M	en
dc.contributor.author	Mavrantzas, V	en
dc.contributor.author	Theodorou, D	en
dc.date.accessioned	2014-03-01T01:51:34Z
dc.date.available	2014-03-01T01:51:34Z
dc.date.issued	2002	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/26364
dc.subject	Configuration Space	en
dc.subject	Domain Decomposition Method	en
dc.subject	Large Scale	en
dc.subject	Molecular Simulation	en
dc.subject	Monte Carlo	en
dc.subject	Monte Carlo Method	en
dc.subject	Parallel Computer	en
dc.subject	Polyethylene	en
dc.subject	Simulation Methods	en
dc.subject	Vector Processor	en
dc.title	Large scale atomistic polymer simulations using Monte Carlo methods for parallel vector processors	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/S0010-4655(01)00464-7	en
heal.identifier.secondary	http://dx.doi.org/10.1016/S0010-4655(01)00464-7	en
heal.publicationDate	2002	en
heal.abstract	In this paper we discuss the implementation of advanced variable connectivity Monte Carlo (MC) simulation methods for studying large (>105 atom) polymer systems at the atomic level. Such codes are intrinsically difficult to optimize since they involve a mixture of many different elementary MC steps, such as reptation, flip, end rotation, concerted rotation and volume fluctuation moves. In particular, connectivity	en
heal.journalName	Computer Physics Communications	en
dc.identifier.doi	10.1016/S0010-4655(01)00464-7	en