[ASAP] Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.2c01018

Source: Journal of Chemical Theory and Computation - April 19, 2023 Category: Chemistry Authors: Helgi I. Ingo ́lfsson, Harsh Bhatia, Fikret Aydin, Tomas Oppelstrup, Cesar A. López, Liam G. Stanton, Timothy S. Carpenter, Sergio Wong, Francesco Di Natale, Xiaohua Zhang, Joseph Y. Moon, Christopher B. Stanley, Joseph R. Chavez, Kien Nguyen, Gautham Source Type: research