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Machine learning exciton dynamics
Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a machine learning technique, multi-layer perceptrons, as a tool to reduce the time required to compute excited state energies. With...
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| Published in: | Chem Sci |
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| Main Authors: | , , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
Royal Society of Chemistry
2016
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6020119/ https://ncbi.nlm.nih.gov/pubmed/30155164 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5sc04786b |
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