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

New release AiiDA 0.9.1

A new AiiDA release v0.9.1 is available! You can find more information at our download...

MaX prize for flagship codes application

MaX – Materials at the Exascale aims at enabling advancements in materials research via high-performance...

Summary report of the AiiDA tutorial

We have published a summary report of the AiiDA tutorial held at the end of...

New AiiDA tutorial (based on 0.9.0) released

A new online tutorial distributed as a downloadable virtual machine is now available on our...

New AiiDA release 0.9.0

A new AiiDA release (0.9.0) is available! You can find more information at our download...

Open position for a software engineer/web developer – MARVEL, EPFL, Switzerland

An open position for a software engineer/web developer is available at EPFL (Lausanne, Switzerland) in...

AiiDA demos available on Youtube!

We have released a Youtube playlist collecting short demos of AiiDA (2 to 5 minutes...

New AiiDA Release 0.8.0

A new AiiDA release (0.8.0) is available! You can find more information at our download...