Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

Journal article

The Journal of Chemical Physics, Vol.160(12), p.122501

03/29/2024

Abstract and subjects

Materials Science(36)

Mathematics & Computing(97)

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Title: Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels
Authors/Creators - name: Jean-Luc Fattebert
Christian Francisco Andres Negre
Joshua David Finkelstein
Jamaludin Mohd-Yusof
Daniel Osei-Kuffuor
Michael E. Wall
Yu Zhang
Nicholas Bock
Susan M. Mniszewski
Publication Details: The Journal of Chemical Physics, Vol.160(12), p.122501
Number of pages: 17
Government Number: LA-UR-25-23408
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1063/5.0198797
Publication ISSN: 1089-7690