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

Journal article

Peer reviewed

Journal of Chemical Theory and Computation, Vol.19(9), p.2658-2675

05/09/2023

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Atomic & Molecular Physics(74)

Materials Science(36)

Mathematics & Computing(97)

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Title: Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure
Authors/Creators - name: Cesar Augusto Lopez Bautista
Sandrasegaram Gnanakaran
Boian Alexandrov
Velimir Valentinov Vesselinov
Publication Details: Journal of Chemical Theory and Computation, Vol.19(9), p.2658-2675
Number of pages: 45 p.
Government Number: LA-UR-19-29642
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1021/acs.jctc.2c01018
ISSN: 1549-9618