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


Quantum Mobile v18.02.0

👤 🕔 February 15, 2018 Comments Off on 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 Jupyter Apps inside Quantum Mobile, just like running them on

All details and download instructions can be found on the release page.