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Absolute free energies and equilibrium ensembles of dense fluids computed from a nondynamic growth method

We demonstrate a nondynamical Monte Carlo method to compute free energies and generate equilibrium ensembles of dense fluids. In this method, based on step-by-step polymer growth algorithms, an ensemble of n+1 particles is obtained from an ensemble of n particles by generating configurations of the...

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Detalhes bibliográficos
Main Authors: Bhatt, Divesh, Zuckerman, Daniel M.
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2802520/
https://ncbi.nlm.nih.gov/pubmed/19968340
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3269674
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