"Dragon: A multi-GPU orbital-free density functional theory molecular ..."

Deyan I. Mihaylov, S. X. Hu, Valentin V. Karasiev (2024)

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DOI: 10.1016/J.CPC.2023.108931

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type: Journal Article

metadata version: 2023-11-28

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Deyan I. Mihaylov, S. X. Hu, Valentin V. Karasiev:
Dragon: A multi-GPU orbital-free density functional theory molecular dynamics simulation package for modeling of warm dense matter. Comput. Phys. Commun. 294: 108931 (2024)

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