Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems.
We 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.
Almarza
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NG
Instituto de Química Física Rocasolano (CSIC), C/Serrano 119, E-28006 Madrid, Spain. NOE@IQFR.CSIC.ES
Lomba
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