High-performance GPU-accelerated evaluation of electron repulsion integrals

Galvez Vallejo, Jorge Luis; Barca, Giuseppe M. J.; Gordon, Mark S.

doi:10.1080/00268976.2022.2112987

High-performance GPU-accelerated evaluation of electron repulsion integrals

Journal Article · 26 August 2022 · Molecular Physics

DOI:https://doi.org/10.1080/00268976.2022.2112987· OSTI ID:1982406

Galvez Vallejo, Jorge Luis ^[1]; Barca, Giuseppe M. J. ^[2]; Gordon, Mark S. ^[1]

Department of Chemistry, Iowa State University, Ames, United States
Department of Computer Science, Australian National University, Canberra, Australia

Not provided.

Research Organization:: Iowa State Univ., Ames, IA (United States)

Sponsoring Organization:: USDOE

OSTI ID:: 1982406

Journal Information:: Molecular Physics, Journal Name: Molecular Physics; ISSN 0026-8976

Publisher:: Taylor & Francis

Country of Publication:: United States

Language:: English

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