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Rapid Prediction of a Liquid Structure from a Single Molecular Configuration Using Deep Learning
[Image: see text] Molecular dynamics simulation is an indispensable tool for understanding the collective behavior of atoms and molecules and the phases they form. Statistical mechanics provides accurate routes for predicting macroscopic properties as time-averages over visited molecular configurati...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10302466/ https://www.ncbi.nlm.nih.gov/pubmed/37307434 http://dx.doi.org/10.1021/acs.jcim.3c00472 |