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


Photos from the PRACE-MaX AiiDA tutorial (CINECA, May 2018)

👤 🕔 June 1, 2018 Comments Off on Photos from the PRACE-MaX AiiDA tutorial (CINECA, May 2018)

You can see some photos from the recent PRACE-MaX Tutorial on high-throughput computations: general methods and applications using AiiDA, held in CINECA on 30 May-1 June 2018, on our Facebook page!