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Machine learning enables long time scale molecular photodynamics simulations

Julia Westermayr, Michael Gastegger, Maximilian F. S. J. Menger and 3 more

Chemical Science · 2019 · CC BY

doi:10.1039/c9sc01742a

Abstract

Machine learning enables excited-state molecular dynamics simulations including nonadiabatic couplings on nanosecond time scales.

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