About the paper
The electronic-structure engine behind the ecosystem, developed by agentic engineering under expert scientific direction. The paper describes its molecular and periodic capabilities and validation against independent reference programs.
Published in the Journal of Computational Chemistry. The ChemRxiv preprint (version 2) remains available.
Read the paper ↗Preprint (ChemRxiv v2) ↗Cite this version
Michael F. Peintinger (2026). vibe-qc: An Open-Source, General-Purpose Electronic-Structure Code for Molecules and Solids Developed With Generative AI. Journal of Computational Chemistry, 47(28), e70525. https://doi.org/10.1002/jcc.70525
View BibTeX
@article{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 = {10.1002/jcc.70525},
url = {https://doi.org/10.1002/jcc.70525},
journal = {Journal of Computational Chemistry},
publisher = {Wiley},
volume = {47},
number = {28},
pages = {e70525}
}