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

One post-doctoral position open at EPFL, Lausanne, Switzerland

An outstanding candidate is sought with a background in the physical sciences (physics, chemistry, or...

Tutorial on writing reproducible workflows for computational materials science

Coordinates When May 21st, 2019 (9:00) until May 24th, 2019 (13:00) Where EPFL, Lausanne, Switzerland Registration...

Three open positions (THEOS, EPFL, Switzerland) in computational materials research software engineering

Three positions for research software engineers/computational materials scientists are available in the group of Prof. Nicola...

Materials Cloud is now a recommended repository of Nature Research’s Scientific Data

We are very pleased to announce a collaboration between Materials Cloud and the Nature Research data...

New release AiiDA v0.12.2

A new AiiDA release v0.12.2 is available! You can find more information at our download...

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...