AiiDA
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

Events

Upcoming events

Past events

  • [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)