Molecular modeling and simulation: Model development, thermodynamic properties, scaling behavior and data management

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Authors: Heinen, Matthias; Chatwell, René Spencer; Homes, Simon; Guevara Carrión, Gabriela; Fingerhut, Robin; Kohns, Maximilian; Stephan, Simon; Horsch, Martin Thomas; Vrabec, Jadran

Journal title: High Performance Computing in Science and Engineering '20

Journal number: 22

Journal publisher: 19444036

Published year: 2022

DOI identifier: 10.5281/zenodo.3932942

ISBN: 9783030806019