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most citedA Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors

10 citations

researchers with a paper here

Jakub Martinka1 · h 2
J. Pittner1 · h 38
Lina Zhang1 · h 6
M. Barbatti1 · h 53
M. Martyka1 · h 5
Pavlo O. Dral1 · h 28
Yi-Fan Hou1 · h 9

collaborating institutions

Aix-Marseille UniversitéFR1 paper
Centre National de la Recherche ScientifiqueFR1 paper
Charles UniversityCZ1 paper
Czech Academy of Sciences, Heyrovsky InstituteCZ1 paper
Czech Academy of Sciences, Institute of Macromolecular ChemistryCZ1 paper
Institut de Chimie RadicalaireFR1 paper
Institute of PhysicsPL1 paper
Institut Universitaire de FranceFR1 paper
Nicolaus Copernicus UniversityPL1 paper
Solid State Physics LaboratoryIN1 paper
University of WarsawPL1 paper
Xiamen UniversityCN1 paper

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physics.comp-ph2025★ 10 cited

A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors

Jakub Martinka, Lina Zhang, Yi-Fan Hou +4

Nonadiabatic couplings (NACs) play a crucial role in modeling photochemical and photophysical processes with methods such as the widely used fewest-switches surface hopping (FSSH).…