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LEARNING MATTER

Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential

Submitted by kpg@mit.edu on Wed, 2022-06-15 20:03

kpg@mit.edu's picture
S. Axelrod, Shakhnovich, E., and Gómez-Bombarelli,  R., “Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential”, Nature Communications, vol. 13, p. 3440, 2022.
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