A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
Jakub Martinka, Lina Zhang, Yi-Fan Hou, Mikołaj Martyka, Jiří Pittner, Mario Barbatti, 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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