Automated Interactive Infrastructure and Database for Computational Science

If you use AiiDA please cite:
AiiDA 1.x
Main paper: S.P. Huber et al., Scientific Data 7, 300 (2020)
AiiDA engine: M. Uhrin et al., Comp. Mat. Sci. 187 (2021)

AiiDA 0.x
First paper, ADES model: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access version)


Report on the 2021 AiiDA tutorial now available

👤 🕔 August 18, 2021 Comments Off on Report on the 2021 AiiDA tutorial now available

Last month we held our annual AiiDA’s introductory tutorial (from the 5th to the 9th of July 2021), an event in which the AiiDA developers teach students and researchers from the field of computational materials science how to get started with running and writing reproducible workflows with our code. This year the event lasted for 5 days and was organized in a fully virtual format, which allowed us to support over 100 participant from 30 different countries around the world!

For more information, feel free to check the recently published report on our website: