Search Results for author: Sebastian Mai

Found 1 papers, 0 papers with code

Machine learning enables long time scale molecular photodynamics simulations

no code implementations22 Nov 2018 Julia Westermayr, Michael Gastegger, Maximilian F. S. J. Menger, Sebastian Mai, Leticia González, Philipp Marquetand

Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales.

BIG-bench Machine Learning Computational Efficiency

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