[ASAP] Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and < italic toggle="yes" > Ab Initio < /italic > Molecular Dynamics

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.3c00280

Source: Journal of Chemical Theory and Computation - June 5, 2023 Category: Chemistry Authors: Thomas Pigeon, Gabriel Stoltz, Manuel Corral-Valero, Ani Anciaux-Sedrakian, Maxime Moreaud, Tony Lelie ̀vre, and Pascal Raybaud Source Type: research