2021-05-10T00:24:21Z
https://digital.csic.es/dspace-oai/request
oai:digital.csic.es:10261/17905
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com_10261_34
com_10261_5
col_10261_287
http://hdl.handle.net/10261/17905
http://dx.doi.org/10.1063/1.2759924
17641
Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems
American Institute of Physics
2007
Almarza, Noé G.
Lomba, Enrique
rp13498
Monte Carlo
Cluster Algorithm
Parallel computing
2007-08-30
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. ©2007 American Institute of Physics
openAccess
J. Chem. Phys. 127, 084116