Quantum ESPRESSO: One Further Step toward the Exascale

[Image: see text] We review the status of the Quantum ESPRESSO software suite for electronic-structure calculations based on plane waves, pseudopotentials, and density-functional theory. We highlight the recent developments in the porting to GPUs of the main codes, using an approach based on OpenACC...

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Detalles Bibliográficos
Autores principales: Carnimeo, Ivan, Affinito, Fabio, Baroni, Stefano, Baseggio, Oscar, Bellentani, Laura, Bertossa, Riccardo, Delugas, Pietro Davide, Ruffino, Fabrizio Ferrari, Orlandini, Sergio, Spiga, Filippo, Giannozzi, Paolo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601483/
https://www.ncbi.nlm.nih.gov/pubmed/37523670
http://dx.doi.org/10.1021/acs.jctc.3c00249

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601483/
https://www.ncbi.nlm.nih.gov/pubmed/37523670
http://dx.doi.org/10.1021/acs.jctc.3c00249

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