Carolin Müller

1. S <scp>pai</scp> NN: equivariant message passing for excited-state nonadiabatic molecular dynamics
   2024/01/01 by Sascha Mausenberger, Carolin Müller, Alexandre Tkatchenko +3 · 1 voice · 5 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Spectroscopy and Quantum Chemical Studies
2. Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
   2025/01/01 by Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva +23 · 1 voice · 5 citations
   Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Nuclear Materials and Properties
3. Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
   2025/01/01 by Carolin Müller, Štěpán Sršeň, Brigitta Bachmair +7 · 1 voice · 3 citations
   Physics and Astronomy · Materials Science · Biochemistry, Genetics and Molecular Biology · #Spectroscopy and Quantum Chemical Studies #Machine Learning in Materials Science #Protein Structure and Dynamics