A new AiiDA release v0.11.2 is available! You can find more information at our download...
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
The March 2018 issue of Nature Nanotechnology features a paper by N. Mounet and coworkers who...
A feature story on AiiDA, its developments, features but also industry extensions can be found...
The PRACE-MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA@Cineca” will take place...