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dc.contributor.authorAlmarza, Noé G.-
dc.contributor.authorLomba, Enrique-
dc.identifier.citationJ. Chem. Phys. 127, 084116 (2007)en_US
dc.description.abstractWe propose an efficient algorithm to perform Monte Carlo simulations of dense systems using multiple particle moves. The method is intended to be used in the atomistic simulation of complex systems, where the computing requirements for a single simulation run make advisable the use of parallel computing. The algorithm is based on the use of steps in which all the particle positions of the system are perturbed simultaneously. A division of the system in clusters of particles is performed, using a bonding criterion which makes feasible that the acceptance or rejection of the new particle coordinates can be carried out independently for each cluster. ©2007 American Institute of Physicsen_US
dc.description.sponsorshipDirección General de Investigación Científica y Técnica under Grant No. FIS2004-02954-C03-01 Dirección General de Universidades e Investigación de la Comunidad de Madrid under Grant No. S0505/ESP/0299, program MOSSNOHO-CM.en_US
dc.format.extent112672 bytes-
dc.publisherAmerican Institute of Physicsen_US
dc.subjectMonte Carloen_US
dc.subjectCluster Algorithmen_US
dc.subjectParallel computingen_US
dc.titleCluster algorithm to perform parallel Monte Carlo simulation of atomistic systemsen_US
dc.description.peerreviewedPeer revieweden_US
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