39 citations · 132 across the 8 of their papers we have counts for
3 papers · 1 filter
Hyperradial distribution function of few-body problems: a new arena for extreme value theory
Yu Wang, Marjan Mirahmadi, Ahmed A. Elkamshishy +1
This work explores classical capture models for few-body systems via a Monte Carlo method in hyperspherical coordinates. In particular, we focus on van der Waals and charged-induce…
Barrier height prediction by machine learning correction of semiempirical calculations
Xabier García-Andrade, Pablo García Tahoces, Jesús Pérez-Ríos +1
Different machine learning (ML) models are proposed in the present work to predict DFT-quality barrier heights (BHs) from semiempirical quantum-mechanical (SQM) calculations. The M…
Dynamics of translational and rotational thermalization of AlF molecules via collisions with cryogenic helium
Mallikarjun Karra, Miruna T. Cretu, Bretislav Friedrich +3
We investigated helium-mediated translational and rotational thermalization of the aluminum monofluoride (AlF) molecule at cryogenic temperatures via a new potential…