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Electronic structure at coarse-grained resolutions from supervised machine learning
Computational studies aimed at understanding conformationally dependent electronic structure in soft materials require a combination of classical and quantum-mechanical simulations, for which the sampling of conformational space can be particularly demanding. Coarse-grained (CG) models provide a mea...
Zapisane w:
| Wydane w: | Sci Adv |
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| Główni autorzy: | , , , , , |
| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
American Association for the Advancement of Science
2019
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| Hasła przedmiotowe: | |
| Dostęp online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6430626/ https://ncbi.nlm.nih.gov/pubmed/30915396 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.aav1190 |
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