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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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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American Institute of Physics
2009
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| On-line přístup: | 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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