Sascha Mausenberger University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria sascha.mausenberger@univie.ac.at +43 1 4277 52760 |
Publications |
SpaiNN: Equivariant Message Passing for Excited-State Nonadiabatic Molecular Dynamics Chem. Sci. 15, 15880-15890, (2024), DOI: 10.1039/D4SC04164J |