Posts by Marnik Bercx
Setting up a high-throughput infrastructure with AiiDA
- 10 January 2025
- Blog
One of the main use cases of AiiDA is to set up powerful infrastructures for running calculations in high-throughput on e.g. a set of structures. A straightforward example from the condensed matter community here would be to calculate the band structure of said structures in two steps:
Non research-domain specific plugins to extend core functionality
- 13 December 2024
- Blog
Dear users, we’re happy to announce that we have recently crossed the 100-plugin milestone of registered plugin packages on the AiiDA plugin registry.
Among those are classics like aiida-quantumespresso and aiida-vasp, which support the electronic structure codes we all know and love.
However, did you know that there are various non research-domain specific plugins that AiiDA developers have created over the years, which can extend AiiDA’s core functionality?
In today’s post, we would like to give you a short introduction to some of these plugins, and show you when you can incorporate them into your work, to make sure you’ll get the most out of your AiiDA journey![1]