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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...
| Autores principales: | , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |