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 demos available on Youtube!

👤 🕔 April 26, 2017 Comments Off on AiiDA demos available on Youtube!

We have released a Youtube playlist collecting short demos of AiiDA (2 to 5 minutes each).
Here is the link: You can get the Jupyter notebooks run in the demos from
Enjoy playing with them!