Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field

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Authors: Amber Mace, Senja Barthel, Berend Smit

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/4

Journal publisher: American Chemical Society

Published year: 2019

Published pages: 2127-2141

DOI identifier: 10.1021/acs.jctc.8b01255

ISSN: 1549-9618