Accurate multiscale simulation of frictional interfaces by Quantum Mechanics/Green's Function molecular dynamics

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Authors: Seiji Kajita, Alberto Pacini, Gabriele Losi, Nobuaki Kikkawa, Maria Clelia Righ

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.48550/arXiv.2304.10967

ISSN: 1549-9618