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Coarse graining molecular dynamics with graph neural networks
Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at an atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it are consistent with the conclusions we would draw from a...
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| 出版年: | J Chem Phys |
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| 主要な著者: | , , , , , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
AIP Publishing LLC
2020
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7671749/ https://ncbi.nlm.nih.gov/pubmed/33218238 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0026133 |
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