Cargando…
Machine learning coarse grained models for water
An accurate and computationally efficient molecular level description of mesoscopic behavior of ice-water systems remains a major challenge. Here, we introduce a set of machine-learned coarse-grained (CG) models (ML-BOP, ML-BOP(dih), and ML-mW) that accurately describe the structure and thermodynami...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6342926/ https://www.ncbi.nlm.nih.gov/pubmed/30670699 http://dx.doi.org/10.1038/s41467-018-08222-6 |