aiida-aimall: A Python package for automating workflows for AIMAll software

Python Submitted 24 October 2024Published 27 January 2026
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Editor: @HaoZeke (all papers)
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Authors

Kevin M. Lefrancois-Gagnon (0000-0001-5291-1795), Robert C. Mawhinney (0000-0002-6077-2403)

Citation

Lefrancois-Gagnon et al., (2026). aiida-aimall: A Python package for automating workflows for AIMAll software. Journal of Open Source Software, 11(117), 8296, https://doi.org/10.21105/joss.08296

@article{Lefrancois-Gagnon2026, doi = {10.21105/joss.08296}, url = {https://doi.org/10.21105/joss.08296}, year = {2026}, publisher = {The Open Journal}, volume = {11}, number = {117}, pages = {8296}, author = {Lefrancois-Gagnon, Kevin M. and Mawhinney, Robert C.}, title = {aiida-aimall: A Python package for automating workflows for AIMAll software}, journal = {Journal of Open Source Software} }
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AiiDA Quantum Theory of Atoms in Molecules AIMAll Computational chemistry

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ISSN 2475-9066