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Mikołaj Martyka

3 results in Authors: Mikołaj Martyka

Theoretical and Computational Chemistry

Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning

Mikołaj Martyka, Lina Zhang, Fuchun Ge, Yi-Fan Hou, Joanna Jankowska, Mario Barbatti, Pavlo O. Dral

Version 2 posted 17 September 2024

625

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Theoretical and Computational Chemistry

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

Version 1 posted 29 May 2025

31

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Theoretical and Computational Chemistry

OMNI-P2x: A Universal Neural Network Potential for Excited-State Simulations

Mikołaj Martyka, Xin-Yu Tong, Joanna Jankowska, Pavlo O. Dral

Version 1 posted 16 April 2025

532

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1

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