@article{Saha_2026,
  author = "I. Saha and D. Willimetz and L. Grajciar",
  title = "<scp>CRISP</scp> : Enhancing <scp>ASE</scp> Workflows With Advanced Molecular Simulation Post‐Processing",
  year = 2026,
  journal = "Journal of Computational Chemistry",
  publisher = "Wiley",
  volume = 47,
  number = 13,
  month = "May",
  doi = "10.1002/jcc.70384",
  url = "http://dx.doi.org/10.1002/jcc.70384"
}


@article{Erlebach_2024,
  author = "A. Erlebach and M. Šípka and I. Saha and P. Nachtigall and C. J. Heard and L. Grajciar",
  title = "A reactive neural network framework for water-loaded acidic zeolites",
  year = 2024,
  journal = "Nature Communications",
  publisher = "Springer Science and Business Media LLC",
  volume = 15,
  number = 1,
  month = "May",
  doi = "10.1038/s41467-024-48609-2",
  url = "http://dx.doi.org/10.1038/s41467-024-48609-2"
}


@article{Saha_2024,
  author = "I. Saha and A. Erlebach and P. Nachtigall and C. J. Heard and L. Grajciar",
  title = "Germanium distributions in zeolites derived from neural network potentials",
  year = 2024,
  journal = "Catalysis Science &amp; Technology",
  publisher = "Royal Society of Chemistry (RSC)",
  doi = "10.1039/d4cy00763h",
  url = "http://dx.doi.org/10.1039/d4cy00763h"
}