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
Blog posts
- Tutorial on writing reproducible workflows for computational materials science (1/19/2019) Posted in: Events - Coordinates When May 21st, 2019 (9:00) until May 24th, 2019 (13:00) Where EPFL, Lausanne, Switzerland Registration Registration link (closing March 24th, 2019) About This 3.5-day tutorial is designed to get Master Continue Reading
- AiiDA plugins migration workshop – EPFL, 25-29 March 2019 (1/11/2019) Posted in: Events, Uncategorized - An AiiDA plugin migration workshop will be held at EPFL Lausanne, Switzerland, aiming at collecting about 20 participants. The workshop will start on Monday 25th March at 2PM and end Continue Reading
- Report on the AiiDA tutorial held at CINECA, 30 May-1 June 2018 (6/4/2018) Posted in: Events - Another AiiDA tutorial, sponsored by PRACE and the H2020 MaX Centre of Excellence, was organized in collaboration with the Italian CINECA supercomputer centre, who hosted the event. The tutorial took Continue Reading
- Report on AiiDA tutorial: 24-25 January 2017 at ICTP in Trieste, Italy. (1/27/2017) Posted in: Events - The end of January of 2017 saw the eighth hands-on tutorial for AiiDA within the "Advanced Workshop on High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO" organised at and by Continue Reading
- Report of the AiiDA tutorial of last year (June 2016) in Lausanne (1/19/2017) Posted in: Events - We've published the report on the psi-k website: you can read the full text there! http://psi-k.net/aiida-tutorial-report-june-2016/
- Report from the AiiDA coding week – Dec 2016 (12/13/2016) Posted in: Events - Last week (5-9 Dec 2016) we had a coding week for AiiDA, to which 15 people participated (roughly half of them core developers from the AiiDA, and the other half Continue Reading