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Can the Pruned-Enriched Method be Used for the Simulation of Fluids?

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Abstract

The flat histogram version of pruned and enriched Rosenbluth method (FLATPERM) is an effective Monte Carlo method for calculating densities of states of polymers on a lattice. In this paper we generalize this method to calculate the densities of states of off-lattice systems. To demonstrate the feasibility of the approach, we perform sample calculations for the Lennard-Jones fluids. The densities of states of Lennard-Jones fluids simulated by Pruned-enriched method, i.e., the generalization of FLATPERM, agree with the densities simulated by Wang-Landau method in the range of high potential energy. However the direct extension of FLATPERM fails at low energy and a useful extension still needs to be found.

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Authors and Affiliations

  1. Department of Hydrosciences, Nanjing University, Nanjing, 210093, China

    Jianguo Jiang & Jichun Wu

  2. Department of Physics and National Lab of Solid State Microstructures, Nanjing University, Nanjing, 210093, China

    Yineng Huang

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  1. Jianguo Jiang
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  2. Yineng Huang
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  3. Jichun Wu
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Correspondence to Jianguo Jiang.

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Jiang, J., Huang, Y. & Wu, J. Can the Pruned-Enriched Method be Used for the Simulation of Fluids?. J Stat Phys 136, 984–988 (2009). https://doi.org/10.1007/s10955-009-9812-3

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  • DOI: https://doi.org/10.1007/s10955-009-9812-3

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