PyFock: A Just-In-Time Compiled Gaussian Basis DFT Python Code for CPU and GPU Architectures

Manas Sharma, Marek Sierka

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DOI: 10.1021/acs.jpca.6c03727
Published: 2026-08-22
Container: The Journal of Physical Chemistry A
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jpca.6c03727,
  title = {PyFock: A Just-In-Time
Compiled Gaussian Basis DFT
Python Code for CPU and GPU Architectures},
  author = {Manas Sharma and Marek Sierka},
  year = {2026},
  journal = {The Journal of Physical
Chemistry A},
  doi = {10.1021/acs.jpca.6c03727},
  url = {https://doi.org/10.1021/acs.jpca.6c03727}
}

RIS

TY  - JOUR
TI  - PyFock: A Just-In-Time
Compiled Gaussian Basis DFT
Python Code for CPU and GPU Architectures
AU  - Manas Sharma
AU  - Marek Sierka
PY  - 2026
JO  - The Journal of Physical
Chemistry A
DO  - 10.1021/acs.jpca.6c03727
UR  - https://doi.org/10.1021/acs.jpca.6c03727
ER  -

APA

Sharma, M., & Sierka, M. (2026). PyFock: A Just-In-Time Compiled Gaussian Basis DFT Python Code for CPU and GPU Architectures. The Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.6c03727

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crossref · retrieved 2026-11-05T23:58:46.772Z