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)

AiiDA Plugins

See the AiiDA plugin registry  [RAW JSON aiida-registry]


Note for developers

In order to get started with developing a new AiiDA plugin, please see the developer section in the AiiDA documentation.

When starting to develop a new plugin, please register them on the aiida-registry right away in order to “reserve” the name for your plugin as well as to make the community aware of your effort.