Dataset: Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures

Johann V. Pototschnig (Ophavsmand)
Anastasios Papadopoulos (Ophavsmand)
Dmitry I. Lyakh (Ophavsmand)
Michal Repisky (Ophavsmand)
Loic Halbert (Ophavsmand)
André Severo Pereira Gomes (Ophavsmand)
Hans Jørgen Aagaard Jensen (Ophavsmand)
Lucas Visscher (Ophavsmand)

Institut for Fysik, Kemi og Farmaci

Datasæt

Beskrivelse

This dataset collects the outputs for the calculation discussed in the manuscript "Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures".

Dato for tilgængelighed	9. mar. 2021
Forlag	Zenodo

DOI
10.5281/zenodo.4589358

1 Tidsskriftartikel

Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures
Pototschnig, J. V., Papadopoulos, A., Lyakh, D. I., Repisky, M., Halbert, L., Severo Pereira Gomes, A., Jensen, H. J. A. & Visscher, L., 14. sep. 2021, I: Journal of Chemical Theory and Computation. 17, 9, s. 5509-5529
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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Citationsformater

Pototschnig, J. V. (Ophavsmand), Papadopoulos, A. (Ophavsmand), Lyakh, D. I. (Ophavsmand), Repisky, M. (Ophavsmand), Halbert, L. (Ophavsmand), Gomes, A. S. P. (Ophavsmand), Jensen, H. J. A. (Ophavsmand), Visscher, L. (Ophavsmand) (9. mar. 2021). Dataset: Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures. Zenodo. 10.5281/zenodo.4589358

Dataset: Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures

Beskrivelse

DOI

Relaterede publikationer

Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures

Citationsformater