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)


The AiiDA paper is now online!

👤 🕔 October 1, 2015 Comments Off on The AiiDA paper is now online!

The AiiDA paper has now been published online! The full reference is:

G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, B. Kozinsky, “AiiDA: automated interactive infrastructure and database for computational science”, Comp. Mat. Sci. 111, 218 (2016).

DOI: 10.1016/j.commatsci.2015.09.013