GSoC 2025 Projects
Draft
?AiiDA is a python framework for managing computational science workflows, with roots in computational materials science. It helps researchers manage large numbers of simulations (10k, 100k, 1M, ...) and complex workflows involving multiple executables. At the same time, it records the provenance of the entire simulation pipeline with the aim to make it fully reproducible.
AiiDA is used in research projects at universities, research institutes and companies (see SciPy 2020 talk, SciPy 2022 talk, publications, and testimonials).
- Help accelerate the transition to open (computational) science
- Help fix the reproducibility crisis. Computational science is a good place to start.
- Work with a team of computational scientists (mostly physics backgrounds) who are passionate about both science and coding.
- We have an active Discourse community & biweekly developer meetings.
A background in materials science is not needed, but a basic interest in materials science topics will make things easier for you.
To be considered as a GSoC student, we ask you to make a small pull request to aiida-core, or any active repositories in aiidateam and aiidalab organizations - could be a simple bug fix, improving the documentation, etc. See e.g. (for aiida-core)
Say hi on our GSOC 2025 topic on Discourse.
level advanced
Expected Size 350h
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- Jusong Yu @unkcpz
level advanced
Expected Size 350h
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- Jusong Yu @unkcpz
If you're already familiar with AiiDA and have your own idea on how to improve it, we're happy to consider it (you may also want to check the development roadmap for further interesting project ideas). In this case, please think about the steps you would take to attack the problem and contact us in advance so that we can draw up a rough work plan.
The mentors for GSOC 2025 are
Please use the GSOC 2025 topic on Discourse
- The timeline