Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs
Author:
Affiliation:
1. Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, Grudziadzka 5, 87-100 Toruń, Poland
Funder
Narodowa Agencja Wymiany Akademickiej
Ministerstwo Nauki i Szkolnictwa Wyzszego
Narodowe Centrum Nauki
Wroclawskie Centrum Sieciowo-Superkomputerowe, Politechnika Wroclawska
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01110
Reference82 articles.
1. The Development of Parallel GAMESS
2. Performance of parallel TURBOMOLE for density functional calculations
3. Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework
4. Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
5. From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
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