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Machine Learning of Coarse-Grained Models for Organic Molecules and Polymers: Progress, Opportunities, and Challenges
[Image: see text] Machine learning (ML) has emerged as one of the most powerful tools transforming all areas of science and engineering. The nature of molecular dynamics (MD) simulations, complex and time-consuming calculations, makes them particularly suitable for ML research. This review article f...
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| Udgivet i: | ACS Omega |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical Society
2021
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| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7841771/ https://ncbi.nlm.nih.gov/pubmed/33521417 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c05321 |
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