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)


Upcoming events

  • [Leysin (CH) 6-10 December 2021] Fifth annual AiiDA coding week with ~15 participants (event site)
  • More events coming soon!

    Besides the public events, the AiiDA team holds biweekly developer meetings  (see public meeting notes). Contact us if you would like to join the developer meeting via zoom, e.g. to present your AiiDA-related developments.

    Past events

    • [Berlin (DE), 5 Feb 2015] AiiDA tutorial for the whole CECAM/Psi-K community, held after the CECAM/Psi-k Research Conference (with ~40 participants)
    • [Zurich (CH), 31 Oct 2014] AiiDA tutorial for members of the MARVEL NCCR  (with ~30 participants)