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Citation¶

If you use ASCICat in your research, please cite:

Paper Citation¶

Khossossi, N. (2025). ASCICat: Activity-Stability-Cost Integrated Framework
for Electrocatalyst Discovery. Journal of Computational Chemistry, XX, XXX-XXX.
DOI: 10.xxxx/xxxxxx

BibTeX¶

@article{khossossi2025ascicat,
  title     = {{ASCICat: Activity-Stability-Cost Integrated Framework for
               Electrocatalyst Discovery}},
  author    = {Khossossi, N.},
  journal   = {Journal of Computational Chemistry},
  volume    = {XX},
  pages     = {XXX--XXX},
  year      = {2025},
  doi       = {10.xxxx/xxxxxx},
  publisher = {Wiley}
}

Software Citation¶

For citing the software itself:

@software{ascicat_software,
  author    = {Khossossi, Nabil},
  title     = {ASCICat: Activity-Stability-Cost Integrated Catalyst Discovery},
  year      = {2025},
  publisher = {GitHub},
  url       = {https://github.com/NabKh/ASCICat},
  version   = {1.0.0}
}

If you use the theoretical foundations, please also consider citing:

@article{norskov2009computational,
  title     = {Towards the computational design of solid catalysts},
  author    = {N{\o}rskov, Jens K and Bligaard, Thomas and Rossmeisl, Jan
               and Christensen, Claus Hviid},
  journal   = {Nature chemistry},
  volume    = {1},
  number    = {1},
  pages     = {37--46},
  year      = {2009},
  publisher = {Nature Publishing Group}
}

@article{greeley2006computational,
  title     = {Computational high-throughput screening of electrocatalytic
               materials for hydrogen evolution},
  author    = {Greeley, Jeff and Jaramillo, Thomas F and Bonde, Jacob and
               Chorkendorff, Ib and N{\o}rskov, Jens K},
  journal   = {Nature materials},
  volume    = {5},
  number    = {11},
  pages     = {909--913},
  year      = {2006},
  publisher = {Nature Publishing Group}
}

Programmatic Access¶

Get citation information in your code:

from ascicat.version import print_citation

print_citation()