Automated Interactive Infrastructure and Database for Computational Science

AiiDA is a flexible and scalable informatics' infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science. Able to store the full provenance of each object, and based on a tailored database built for efficient data mining of heterogeneous results, AiiDA gives the user the ability to interact seamlessly with any number of remote HPC resources and codes, thanks to its flexible plugin interface and workflow engine for the automation of complex sequences of simulations.

Journal ref: G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci. 111, 218-230 (2016)

Open access link: arXiv:1504.0116


This page contains information both on tutorial events (below) and on how you can try AiiDA by yourself with a downloadable tutorial.


Downloadable tutorial

You want to learn AiiDA and try it out? Here you have access to our AiiDA tutorials.
No need to install AiiDA! Just download the VirtualBox Image, start it following the instructions, and follow the tutorial text.


Latest version


Older versions




Upcoming events

  • [Lausanne (CH) 29-31 May 2017] Second edition of the MARVEL/Psi-k/MaX AiiDA tutorial at EPFL, targeted at students, postdocs and researchers interested in applying high-throughput computations in their research and interested in learning how to use the AiiDA platform. Registration is still open, even if financial support might not be available anymore (follow the link above, which also contains additional information).

Current and past events (tutorials, coding weeks, meetings, …)

  • [Trieste (IT), 15 Dec 2015] AiiDA tutorial for the Master in HPC (with ~10 participants).
  • [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)