Machine learning coarse grained models for water

A computationally efficient description of ice-water systems at the mesoscopic scale is challenging due to system size and timescale limitations. Here the authors develop a machine-learned coarse-grained water model to elucidate the ice nucleation process much more efficiently than previous models.

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Auteurs principaux: Henry Chan, Mathew J. Cherukara, Badri Narayanan, Troy D. Loeffler, Chris Benmore, Stephen K. Gray, Subramanian K. R. S. Sankaranarayanan
Format: article
Langue:EN
Publié: Nature Portfolio 2019
Sujets:
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Accès en ligne:https://doaj.org/article/e694cefa440e4058adee19ae8691e135
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