61 citations · 63 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025★ 2 cited
Instanton Theory for Nonadiabatic Tunneling through Near-Barrier Crossings
Ziyan Ye, Eric R. Heller, Dong H. Zhang +2
Many reactions in chemistry and biology involve multiple electronic states, rendering them nonadiabatic in nature. These reactions can be formally described using Fermi's golden ru…
physics.chem-ph2017★ 61 cited
Bayesian optimization for the inverse scattering problem in quantum reaction dynamics
R. A. Vargas-Hernández, Y. Guan, D. H. Zhang +1
We propose a machine-learning approach based on Bayesian optimization to build global potential energy surfaces (PES) for reactive molecular systems using feedback from quantum sca…