5 citations · 9 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 4 cited
Quantum Chemical and Trajectory Surface Hopping Molecular Dynamics Study of Iodine-based BODIPY Photosensitizer
Mirza Wasif Baig, Marek Pederzoli, Mojmír Kývala +1
A computational study of I-BODIPY (2-ethyl-4,4-difluoro-6,7-diiodo-1,3-dimethyl-4-bora-3a,4a-diaza-s-indacene) was conducted to investigate its photophysical properties as a potent…
physics.chem-ph2024★ 5 cited
A simple approach to rotationally invariant machine learning of avector quantity
Jakub Martinka, Marek Pederzoli, Mario Barbatti +2
Unlike with the energy, which is a scalar property, machine learning (ML) predictions of vector or tensor properties poses the additional challenge of achieving proper invariance (…