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

AiiDA tutorial at CINECA (Bologna, Italy) – 30/5/2018 to 1/6/2018

The PRACE-MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA@Cineca” will take place...

New release AiiDA v0.11.4

A new AiiDA release v0.11.4 is available! You can find more information at our download...

New release AiiDA v0.11.3

A new AiiDA release v0.11.3 is available! You can find more information at our download...

New release AiiDA v0.11.2

A new AiiDA release v0.11.2 is available! You can find more information at our download...

New release AiiDA v0.11.1

A new AiiDA release v0.11.1 is available! You can find more information at our download...

Nature Nanotechnology March cover features a high-throughput study on novel 2D materials performed using AiiDA

The March 2018 issue of Nature Nanotechnology features a paper by N. Mounet and coworkers who...

Feature story: AiiDA Manages, Preserves and Disseminates the Simulations, Data and Workflows of Modern Computational Science

A feature story on AiiDA, its developments, features but also industry extensions can be found...

Quantum Mobile v18.02.0

We’ve just released version 18.02.0 of the Quantum Mobile Virtual Machine. Quantum Mobile now supports running AiiDA-powered...