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

Posts

New AiiDA tutorial (based on 0.9.0) released

👤 🕔 June 15, 2017 Comments Off on New AiiDA tutorial (based on 0.9.0) released

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

The new tutorial is based on the new 0.9.0 version of AiiDA. The content was presented at the last AiiDA tutorial held in Lausanne in May 2017.