NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
Work
Year: 2022
Type: article
Abstract: We report a new deep learning message passing network that takes inspiration from Newton's equations of motion to learn interatomic potentials and forces.
Source: Digital Discovery
Institutions University of California, Berkeley, Lawrence Berkeley National Laboratory, University of Duisburg-Essen, Ghent University, Queen's University +1 more
Cites: 44
Cited by: 83
Related to: 10
FWCI: 7.798
Citation percentile (by year/subfield): 100
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
Funders U.S. Department of Energy, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Fonds Wetenschappelijk Onderzoek, China Scholarship Council, National Institute of General Medical Sciences
Grant IDS DE-AC02-05CH11231, , , , 5U01GM121667