Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics
Jakub Martinka, Mikołaj Martyka, Biman Medhi, Jiří Pittner, Pavlo O. Dral
Published
AMULET - Advanced MUltiscaLe materials for key Enabling Technologies
J. Heyrovský Institute of Physical Chemistry of the CAS
University of Chemistry and Technology, Prague
Charles University
Institute of Organic Chemistry and Biochemistry of the CAS
Institute of Physics of the CAS
Nuclear Physics Institute of the CAS
Institute of Photonics and Electronics of the CAS
Jan Evangelista Purkyně University in Ústí nad Labem
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