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

Recent news & events

Two open positions available for computational materials scientist/software scientists on data and services

Two positions for computational materials scientists/software scientists are available at the Ecole Polytechnique Fédérale de...

New release AiiDA v0.12.1

A new AiiDA release v0.12.1 is available! You can find more information at our download...

MaX Hackathon, July 2018, Barcelona

Registration is now open for the H2020 MaX #Hackathon in Barcelona, July 16-20, 2018. Information...

Report on the AiiDA tutorial (May 2018)

We have just published a short report on the recent AiiDA tutorial, held in CINECA...

Photos from the PRACE-MaX AiiDA tutorial (CINECA, May 2018)

You can see some photos from the recent PRACE-MaX Tutorial on high-throughput computations: general methods...

Web platform “Materials Cloud” could help industry streamline research efforts

The MARVEL NCCR has recently published an article on how the Materials Cloud platform, based on...

MARVEL interview on the usefulness of AiiDA and Materials Cloud

The NCCR MARVEL has published an interview to prof. Scott Auerbach, where he discusses his...

New release AiiDA v0.12.0

A new AiiDA release v0.12.0 is available! You can find more information at our download...