AiiDA
Automated Interactive Infrastructure and Database for Computational Science

⚙ Workflows

Data provenance

? Plugin framework

HPC Interface

Open Science

? Open source


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)

Contact us

General questions about AiiDA

Please ask on the AiiDA mailing list (very low traffic).

Bug reports

Please check our GitHub issue tracker whether the bug is already known. If not, please open a new issue.

Feedback on AiiDA

The AiiDA core developers greatly appreciate feedback on the AiiDA user experience.

Your comments and suggestions influence where we focus our development efforts.

Let us know!

Private contact

Use the contact form below if you want to contact us in private. Please note that the email behind this form is not monitored constantly, and it might take some time before you get a reply.