[ASAP] Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.3c00201

Source: Journal of Chemical Theory and Computation - July 3, 2023 Category: Chemistry Authors: Bernadette Mohr, Diego van der Mast, and Tristan Bereau Source Type: research