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Machine learning enables long time scale molecular photodynamics simulations
Photo-induced processes are fundamental in nature but accurate simulations of their dynamics are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method based on machine learning to overcome this bott...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6849489/ https://www.ncbi.nlm.nih.gov/pubmed/31857878 http://dx.doi.org/10.1039/c9sc01742a |