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The Journal of Chemical Physics|November 1, 2024
A simple approach to rotationally invariant machine learning of a vector quantityJakub Martinka, Marek Pederzoli, Mario Barbatti, et al.Journal of Chemical Theory and Computation|February 18, 2026
Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic DynamicsJakub Martinka, Mikołaj Martyka, Biman Medhi, et al.The Journal of Physical Chemistry Letters|November 3, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling VectorsJakub Martinka, Lina Zhang, Yi-Fan Hou, et al.Pageof 1