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)

January and February 2014

The first two months of 2014 have seen a few new beta-testers of the code that have provided us useful feedback. The main modifications have been bugfixes and user interface improvements.

  • REST API First stub of a REST API for AiiDA.
  • VERDI Implemented new command line utilities to facilitate the user experience. In particular, now it ispossible to check the list of calculations, filter them on status, submission date, etc., kill them.
  • DB Added versioning of nodes for easier sharing.
  • FIXES Various minor bugfixes and code cleanup.