2 papers
physics.chem-ph2025
Machine learning prediction of a chemical reaction over 8 decades of energy
Daniel Julian, Jesús Pérez-Ríos
Recent progress in machine learning has sparked increased interest in utilizing this technology to predict the outcomes of chemical reactions. The ultimate aim of such endeavors is…
physics.chem-ph2024
Machine learning models for atom-diatom reactions across isotopologues
Daniel Julian, Rian Koots, Jesùs Pérez-Ríos
This work shows that feed-forward neural networks can predict the final ro-vibrational state distributions of inelastic and reactive processes of the reaction of Ca H2 $\righta…