Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA.
- DOI
- 10.1021/acs.jctc.4c01759
- Published
- 2025 Apr 8
- Container
- Journal of chemical theory and computation
- Publisher
- Not recorded
- Open access
- yes
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.4c01759,
title = {Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA.},
author = {Storchi L and Bellentani L and Hammond J and Orlandini S and Pacifici L and Antonini N and Belpassi L},
year = {2025},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.4c01759},
url = {https://doi.org/10.1021/acs.jctc.4c01759}
}RIS
TY - JOUR TI - Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA. AU - Storchi L AU - Bellentani L AU - Hammond J AU - Orlandini S AU - Pacifici L AU - Antonini N AU - Belpassi L PY - 2025 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.4c01759 UR - https://doi.org/10.1021/acs.jctc.4c01759 ER -
APA
L, S., L, B., J, H., S, O., L, P., N, A., & L, B. (2025). Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.4c01759
Source records
- pubmed · retrieved 2026-09-25T23:29:33.722Z