Publication

I. Saha, D. Willimetz and L. Grajciar
<scp>CRISP</scp> : Enhancing <scp>ASE</scp> Workflows With Advanced Molecular Simulation Post‐Processing

Journal of Computational Chemistry, 47(13), 2026

DOI, BibTeX

Reference

@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"
}