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Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems

AuthorsAlmarza, Noé G. ; Lomba, Enrique
KeywordsMonte Carlo
Cluster Algorithm
Parallel computing
Issue Date30-Aug-2007
PublisherAmerican Institute of Physics
CitationJ. Chem. Phys. 127, 084116 (2007)
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 Physics
Publisher version (URL)http://link.aip.org/link/?JCPSA6/127/084116/1
Appears in Collections:(IQFR) Artículos
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