Optimization of the coupled cluster implementation in nwchem on petascale parallel architectures

Victor M. Anisimov, Gregory H. Bauer, Kalyana Chadalavada, Ryan M. Olson, Joseph W. Glenski, William T.C. Kramer, Edoardo Aprà, Karol Kowalski

Research output: Contribution to journal › Article › peer-review

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Biochemistry, Genetics and Molecular Biology

Chemistry

Engineering

Pharmacology, Toxicology and Pharmaceutical Science