A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
Version 5 2025-05-05, 12:54
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posted on 2025-05-05, 12:54 authored by Jakub MartinkaJakub Martinka, Lina Zhang, Yi-Fan Hou, Mikołaj MartykaMikołaj Martyka, Jiří Pittner, Mario BarbattiMario Barbatti, Pavlo O. DralPavlo O. DralKernel ridge regression models.
