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Coupled cluster theory on modern heterogeneous supercomputers.
Corzo, Hector H; Hillers-Bendtsen, Andreas Erbs; Barnes, Ashleigh; Zamani, Abdulrahman Y; Pawlowski, Filip; Olsen, Jeppe; Jørgensen, Poul; Mikkelsen, Kurt V; Bykov, Dmytro.
Affiliation
  • Corzo HH; Oak Ridge National Laboratory, Oak Ridge, TN, United States.
  • Hillers-Bendtsen AE; Department of Chemistry, University of Copenhagen, Copenhagen, Denmark.
  • Barnes A; Oak Ridge National Laboratory, Oak Ridge, TN, United States.
  • Zamani AY; Department of Chemistry and Biochemistry and Center for Chemical Computation and Theory, University of California, Merced, CA, United States.
  • Pawlowski F; Department of Chemistry and Biochemistry, Auburn University, Auburn, AL, United States.
  • Olsen J; Department of Chemistry, Aarhus University, Aarhus, Denmark.
  • Jørgensen P; Department of Chemistry, Aarhus University, Aarhus, Denmark.
  • Mikkelsen KV; Department of Chemistry, University of Copenhagen, Copenhagen, Denmark.
  • Bykov D; Oak Ridge National Laboratory, Oak Ridge, TN, United States.
Front Chem ; 11: 1154526, 2023.
Article in En | MEDLINE | ID: mdl-37388945
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Front Chem Year: 2023 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Front Chem Year: 2023 Document type: Article Affiliation country: Country of publication: