VIBE-QC: an open-source, general-purpose electronic-structure code for molecules and solids developed with generative AI

About the paper

The electronic-structure engine behind the ecosystem: its molecular and periodic capabilities, development with generative AI under expert direction, and validation against independent reference programs.

Accepted in the Journal of Computational Chemistry, as recorded by the author. The available link and citation below refer to ChemRxiv version 2; a journal reference will be added when available.

@misc{vibe-qc-2026,
  title = {{VIBE-QC: an open-source, general-purpose electronic-structure code for molecules and solids developed with generative AI}},
  author = {Peintinger, Michael F.},
  year = {2026},
  doi = {10.26434/chemrxiv.15007558/v2},
  url = {https://doi.org/10.26434/chemrxiv.15007558/v2},
  howpublished = {ChemRxiv},
  note = {Preprint, version 2}
}