Browsing by Author "Hase, Florian"
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Machine learning exciton dynamics
Hase, Florian; Valleau, Stephanie; Pyzer-Knapp, Edward; Aspuru-Guzik, Alan (Royal Society of Chemistry (RSC), 2016)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, ...