3 papers
physics.atom-ph2025
Direct three-body atom recombination: halogen atoms
Rian Koots, Grace Ding, Jesús Pérez-Ríos
The recombination of halogen atoms has been a research topic in chemical physics for over a century. All theoretical descriptions of atom recombination depend on a two-step assumpt…
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…
physics.comp-ph2023
PyQCAMS: Python Quasi-Classical Atom-Molecule Scattering
Rian Koots, Jesús Pérez-Ríos
We present Python Quasi-classical atom-molecule scattering (PyQCAMS), a new Python package for atom-molecule scattering within the quasi-classical trajectory approach. The input co…