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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Detalles Bibliográficos
Autores principales: Häse, Florian, Valleau, Stéphanie, Pyzer-Knapp, Edward, Aspuru-Guzik, Alán
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6020119/
https://www.ncbi.nlm.nih.gov/pubmed/30155164
http://dx.doi.org/10.1039/c5sc04786b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6020119/
https://www.ncbi.nlm.nih.gov/pubmed/30155164
http://dx.doi.org/10.1039/c5sc04786b

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