Quantum Chemical and Trajectory Surface Hopping Molecular Dynamics Study of Iodine-Based BODIPY Photosensitizer. - Mirza Wasif Baig; Marek Pederzoli; Mojmír Kývala; Jirí Pittner (J. Comput. Chem., 2025)

A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors. - Jakub Martinka; Lina Zhang; Yi-Fan Hou; Mikolaj Martyka; Jirí Pittner; Mario Barbatti; Pavlo O. Dral (CoRR, 2025)