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)


AiiDA-powered research projects

The AiiDA team conducts an annual survey on the AiiDA mailing list to gather information on research projects using AiiDA, including papers published, AiiDA plugins used, and further database indicators that inform future development choices.

AiiDA-powered publications

Last update: April 2020