43 citations · 165 across the 10 of their papers we have counts for
3 papers · 1 filter
Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions
Julian Arnold, Debasish Koner, Silvan Käser +3
Machine learning-based models to predict product state distributions from a distribution of reactant conditions for atom-diatom collisions are presented and quantitatively tested.…
Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics
Debasish Koner, Raymond J. Bemish, Markus Meuwly
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energ…
Accurate Reproducing Kernel-Based Potential Energy Surfaces for the Triplet Ground States of NO and Dynamics for the N+NOO+N and N+O2N+O Reactions
Debasish Koner, Juan Carlos San Vicente Veliz, Raymond J. Bemish +1
Accurate potential energy surfaces (PESs) have been determined for the A and A states of NO using electronic structure calculations at the multireference configu…