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5 results in Authors: Joanna Jankowska

Theoretical and Computational Chemistry

Photo-Oxidation of Methanol in Complexes with Pyrido[2,3-b]pyrazine: a Nonadiabatic Molecular Dynamics Study

Joanna Jankowska, Andrzej L. Sobolewski

Version 2 posted 04 December 2023

162

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Theoretical and Computational Chemistry

The Radiative Surface Hopping (RSH) algorithm: capturing fluorescence events in molecular systems within a semi-classical Non-Adiabatic Molecular Dynamics framework

Manuel Pérez-Escribano, Joanna Jankowska, Giovanni Granucci, Daniel Escudero

Version 1 posted 21 December 2022

295

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Theoretical and Computational Chemistry

Quantum-classical simulations reveal the photoisomerization mechanism of a prototypical first-generation rotary motor

Davide Accomasso, Joanna Jankowska

Version 1 posted 22 July 2024

128

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Unidirectional molecular rotary motor with remotely-switchable rotation direction

Kamil Szychta, Joanna Jankowska

Version 1 posted 08 October 2024

84

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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

293

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