Machine learning coarse grained models for water
oleh: Henry Chan, Mathew J. Cherukara, Badri Narayanan, Troy D. Loeffler, Chris Benmore, Stephen K. Gray, Subramanian K. R. S. Sankaranarayanan
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2019-01-01 |
Deskripsi
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.