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Direct free energy evaluation of classical and quantum many-body systems via field-theoretic simulation
Free energy evaluation in molecular simulations of both classical and quantum systems is computationally intensive and requires sophisticated algorithms. This is because free energy depends on the volume of accessible phase space, a quantity that is inextricably linked to the integration measure in...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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National Academy of Sciences
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9170146/ https://www.ncbi.nlm.nih.gov/pubmed/35471906 http://dx.doi.org/10.1073/pnas.2201804119 |