Welcome to the AiiDAlab Widgets documentation!#

AiiDAlab applications typically involve some of following steps:

  • Prepare the input for a calculation (e.g. an atomic structure).

  • Select computational resources and submit a calculation to AiiDA.

  • Monitor a running calculation.

  • Find and analyze the results of a calculation.

The AiiDAlab widgets help with these common tasks.

How to cite#

Users of AiiDAlab are kindly asked to cite the following publication in their own work:

    1. Yakutovich et al., Comp. Mat. Sci. 188, 110165 (2021). DOI:10.1016/j.commatsci.2020.110165


This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.

Indices and tables#