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 AiiDA release 0.9.0

👤 🕔 June 15, 2017 Comments Off on New AiiDA release 0.9.0

A new AiiDA release (0.9.0) is available! You can find more information at our download page.

Briefly, we have made improvements comparing to version 0.8.1 in the following sections:

  • data export functionality
  • workchains
  • plugin system
  • documentation
  • bug fixes & enhancements

More details on the changes of this version can be found at: