A time saving algorithm for the Monte Carlo method of Metropolis |
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| Authors: | Rui P.S. Fartaria Pedro C.R. Rodrigues Fernando M.S. Silva Fernandes |
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| Affiliation: | a Laboratory of Molecular Simulation, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisboa, Rua Ernesto de Vasconcelos, Bloco C8, 1749-016 Lisboa, Portugal
b Instituto de Química de São Carlos, Universidade de São Paulo, Av. do Trabalhador Sancarlense, CP 780, 13560-970 São Carlos-SP, Brazil |
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| Abstract: | A time saving algorithm for the Monte Carlo method of Metropolis is presented. The technique is tested with different potential models and number of particles. The coupling of the method with neighbor lists, linked lists, Ewald sum and reaction field techniques is also analyzed. It is shown that the proposed algorithm is particularly suitable for computationally heavy intermolecular potentials. |
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| Keywords: | 02.50.Tt 07.05.Tp |
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