AiiDA
Automated Interactive Infrastructure and Database for Computational Science


If you use AiiDA please cite:
AiiDA 1.0: S.P. Huber et al. arXiv:2003.12476 (2020)
AiiDA 0.x: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access)

Most recent news

AiiDA virtual tutorial registration now open

The AiiDA team are pleased to announce that registration for our annual tutorial week (July...

Documentation revamp, and more than 50 registered plugins

We are thrilled to announce a comprehensive revamp of the AiiDA documentation.   With the...

Newly-engineered Materials Cloud Archive

We would like to announce the launch of a newly engineered Materials Cloud Archive, now...

2020 Questionnaire results – AiiDA papers & testimonials

The results of the annual questionnaire on AiiDA-powered research projects are out! Find them on...

AiiDA v1.2.0 released

A new AiiDA release v1.2.0 is available! You can find more information at our download...

Pre-prints of upcoming AiiDA & Materials Cloud papers now available

After five years of continued development since the first AiiDA paper it was time to...

AiiDA at Google Summer of Code 2020

Thanks to the folks at NumFOCUS, AiiDA is participating in the Google Summer of Code...

AiiDA v1.1.1 released

A new AiiDA release v1.1.1 is available! You can find more information at our download...