3 papers
physics.chem-ph2026
Towards Quantitative Reaction Dynamics of O3
Raidel Martin-Barrios, Abhirami Vijayakumar, Jingchun Wang +1
The reaction dynamics of O(3P) + O2(3Sigma_g-) collisions in the O3(1A') electronic ground state is characterized on a high-level MRCI+Q/aug-cc-pVQZ potential energy surface repres…
physics.chem-ph2025
A State-Space-View of Atom-Diatom Reactions Relevant to Rarefied Gas Flow
Abhirami Vijayakumar, Raidel Martin-Barrios, Markus Meuwly
A microscopically resolved picture of energy flow in atom-diatom collisions is essential for understanding the non-equilibrium chemistry in rarefied and hypersonic gas flow. Here,…
cond-mat.stat-mech2021
The random force in molecular dynamics with electronic friction
Nils Hertl, Raidel Martin-Barrios, Oihana Galparsoro +5
The Langevin equation includes a random force to maintain equilibrium and prevent friction from bringing motion to a standstill; but for ballistic motion, the random force is often…