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Machine Learning of Coarse-Grained Molecular Dynamics Force Fields
[Image: see text] Atomistic or ab initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such computationally expensive simulations is the definiti...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6535777/ https://www.ncbi.nlm.nih.gov/pubmed/31139712 http://dx.doi.org/10.1021/acscentsci.8b00913 |