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Multivariable extrapolation of grand canonical free energy landscapes
We derive an approach for extrapolating the free energy landscape of multicomponent systems in the grand canonical ensemble, obtained from flat-histogram Monte Carlo simulations, from one set of temperature and chemical potentials to another. This is accomplished by expanding the landscape in a Tayl...
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| 出版年: | J Chem Phys |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2017
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5836324/ https://ncbi.nlm.nih.gov/pubmed/29272947 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5006906 |
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