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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...
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| Gepubliceerd in: | Nat Commun |
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| Hoofdauteurs: | , , , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Nature Publishing Group UK
2019
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6342926/ https://ncbi.nlm.nih.gov/pubmed/30670699 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-018-08222-6 |
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