Kavli Affiliate: David T. Limmer | First 5 Authors: Senwei Liang, Aditya N. Singh, Yuanran Zhu, David T. Limmer, Chao Yang | Summary: We propose a reinforcement learning based method to identify important configurations that connect reactant and product states along chemical reaction paths. By shooting multiple trajectories from these configurations, we can generate an […]
Continue.. Probing reaction channels via reinforcement learning