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

AiiDA demos available on Youtube!

👤 🕔 April 26, 2017 Comments Off on AiiDA demos available on Youtube!

We have released a Youtube playlist collecting short demos of AiiDA (2 to 5 minutes each).
Here is the link: https://www.youtube.com/playlist?list=PL19kfLn4sO_-XDUeXu5jwUq9k7TId8mM0. You can get the Jupyter notebooks run in the demos from https://github.com/aiidateam/aiida_demos/tree/v1.0.
Enjoy playing with them!