"GPU acceleration of all-electron electronic structure theory using ..."

William P. Huhn et al. (2020)

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DOI: 10.1016/J.CPC.2020.107314

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type: Journal Article

metadata version: 2021-10-14

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William P. Huhn, Björn Lange, Victor Wen-zhe Yu, Mina Yoon, Volker Blum:
GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions. Comput. Phys. Commun. 254: 107314 (2020)

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