Quantum ESPRESSO: One Further Step toward the Exascale

Summary

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Authors: I. Carnimeo, F. Affinito, S. Baroni, O. Baseggio, L. Bellentani, R. Bertossa, P. D. Delugas, F. Ferrari Ruffino, S. Orlandini, F. Spiga, and P. Giannozzi

Journal title: J. Chem. Theory Comput.

Journal number: 19, 20, 6992–7006

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acs.jctc.3c00249

ISSN: 1549-9618