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Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics
[Image: see text] In recent years, deep learning has become a part of our everyday life and is revolutionizing quantum chemistry as well. In this work, we show how deep learning can be used to advance the research field of photochemistry by learning all important properties—multiple energies, forces...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7246974/ https://www.ncbi.nlm.nih.gov/pubmed/32311258 http://dx.doi.org/10.1021/acs.jpclett.0c00527 |