Nonadiabatic Molecular Dynamics on Graphics Processing Units: Performance and Application to Rotary Molecular Motors

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Authors: Laurens D. M. Peters, Jörg Kussmann, Christian Ochsenfeld

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/12

Journal publisher: American Chemical Society

Published year: 2019

Published pages: 6647-6659

DOI identifier: 10.1021/acs.jctc.9b00859

ISSN: 1549-9618