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Julia Westermayr

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Theoretical and Computational Chemistry

SpaiNN: Equivariant Message Passing for Excited-State Nonadiabatic Molecular Dynamics

Sascha Mausenberger, Carolin Müller, Alexandre Tkatchenko, Philipp Marquetand, Leticia González, Julia Westermayr

Version 1 posted 24 June 2024

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