Automated Interactive Infrastructure and Database for Computational Science

If you use AiiDA please cite:
AiiDA 1.x
Main paper: S.P. Huber et al., Scientific Data 7, 300 (2020)
AiiDA engine: M. Uhrin et al., Comp. Mat. Sci. 187 (2021)

AiiDA 0.x
First paper, ADES model: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access version)

🔓 Open source

The AiiDA framework is released under the permissive MIT open-source license, making it suitable for use in both in academic and commercial settings.

AiiDA is developed publicly on the aiida-core GitHub repository, and has benefited enormously from contributions by an active developer community. All contributions are welcome, ranging from prioritization of new features, issue reports to pull requests.

While the AiiDA team are proponents of open source software, AiiDA plugins can connect to both open source and commercial codes, and plugin developers can choose to develop their plugin privately or under different licenses.