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


New release AiiDA 0.10.0

👤 🕔 November 20, 2017 Comments Off on New release AiiDA 0.10.0

A new AiiDA release v0.10.0 is available! You can find more information at our download page.

This release comes with many improvements and new features to the command line client and various bug fixes.

A detailed overview of a all the changes can be found in the change log on GitHub.