The Metropolis Monte Carlo Finite Element Algorithm for Electrostatic Interactions

The Metropolis Monte Carlo algorithm with the Finite Element method applied to compute electrostatic interaction energy between charge densities is described in this work. By using the Finite Element method to integrate numerically the Poisson's equation, it is shown that the computing time to...

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Veröffentlicht in:The Journal of chemical physics 2010, Vol.132 (12)
1. Verfasser: Mazars, Martial
Format: Artikel
Sprache:eng
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Zusammenfassung:The Metropolis Monte Carlo algorithm with the Finite Element method applied to compute electrostatic interaction energy between charge densities is described in this work. By using the Finite Element method to integrate numerically the Poisson's equation, it is shown that the computing time to obtain the acceptance probability of an elementary trial move does not, in principle, depend on the number of charged particles present in the system.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3367886