10 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Institute of PhysicsPL2 papers
- Nicolaus Copernicus UniversityPL2 papers
- Solid State Physics LaboratoryIN2 papers
- Xiamen UniversityCN2 papers
- Aix-Marseille UniversitéFR1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- Charles UniversityCZ1 paper
- Czech Academy of Sciences, Heyrovsky InstituteCZ1 paper
- Czech Academy of Sciences, Institute of Macromolecular ChemistryCZ1 paper
- Institut de Chimie RadicalaireFR1 paper
- Institut Universitaire de FranceFR1 paper
- University of WarsawPL1 paper
2 papers
physics.comp-ph2025★ 10 cited
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
Jakub Martinka, Lina Zhang, Yi-Fan Hou +4
Nonadiabatic couplings (NACs) play a crucial role in modeling photochemical and photophysical processes with methods such as the widely used fewest-switches surface hopping (FSSH).…
physics.chem-ph2024★ 4 cited
All-in-one foundational models learning across quantum chemical levels
Yuxinxin Chen, Pavlo O. Dral
Machine learning (ML) potentials typically target a single quantum chemical (QC) level while the ML models developed for multi-fidelity learning have not been shown to provide scal…