 | Sascha Mausenberger University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria sascha.mausenberger@univie.ac.at +43 1 4277 52754 ORCID: 0009-0003-8136-8770 |
| Publications |
Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations (submitted), (2025) S. Mausenberger, S. Polonius, S. Mai, L. González SpaiNN: Equivariant Message Passing for Excited-State Nonadiabatic Molecular Dynamics Chem. Sci. 15, 15880-15890, (2024), DOI: 10.1039/D4SC04164J |