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
- [Lausanne (CH) 25-29 Mar 2019] AiiDA plugins migration workshop, to support existing plugins in migrating to python 2+3 and the new AiiDA 1.0 release (with ~25 participants)
- [CINECA – Casalecchio di Reno (Bologna, IT), 30 May-1 Jun 2018] “PRACE-MaX Tutorial on high-throughput computations: general methods and applications using AiiDA” hosted at the Italian Supercomputer Center CINECA and co-sponsored by PRACE and the H2020 MaX CoE. It was preceded by an optional two-day introduction to Python. Photos here and report here.
- [Leukerbad (CH), 16-20 Oct 2017] Second AiiDA coding week (video report of the coding week)
- [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 (with ~50 participants). Photos here and report here
- [Lausanne (CH) 6-7 March 2017] MARVEL/MaX advanced AiiDA tutorial at EPFL, aiming at encouraging collaborations and at discussing about integration of workflows, plugins and curated data within AiiDA and Materials cloud (with ~20 participants).
- [Trieste (IT) 24-25 Jan 2017] AiiDA tutorial within the ICTP “Advanced Workshop on High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO” (with ~75 participants). Report here.
- [Leysin (CH), 5-9 Dec 2016] First AiiDA coding week (report of the coding week)
- [Trieste (IT), 14-15 July 2016] AiiDA tutorial for users. This was one of the activities of the ICTP event “College on Multiscale Computational Modeling of Materials for Energy Applications” (with ~50 participants) (photos here).
- [Lausanne (CH), 22-24 June 2016] First edition of the MARVEL/MaX/Psi-k AiiDA tutorial at EPFL (with ~50 participants) (photos here: day1, day2, day3; report here).
- [Kyoto (JAP), 1 Mar 2016] AiiDA tutorial for some Japanese groups, with ~20 participants (photos here).
- [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)