The official website for AiiDA, built with Astro.
npm install
npm run devThe site runs at http://localhost:4321/.
npm run build
npm run previewnpm run update-cli— Fetch the latest verdi CLI reference from aiida-corenpm run update-stats— Fetch PyPI download stats
The site is deployed to Cloudflare Pages.
Thanks for your interest in helping! This site is maintained directly by the AiiDA team, and we kindly ask the community to share feedback through issues rather than pull requests. Whether it's a typo, a broken link, outdated content, or a content suggestion — please open an issue and we'll take care of the implementation. To keep the workflow consistent, PRs opened from forks are gently auto-closed with a comment pointing back here.
Two reasons behind the policy: (1) the site benefits from a single editorial voice, so changes flow through the team rather than landing piecemeal; and (2) Cloudflare Pages doesn't build preview deployments for fork PRs (a security default — the build environment can hold project secrets), so a fork PR can't be reviewed visually anyway. Routing through issues keeps the loop short for everyone.
If AiiDA helped your research, please cite the relevant papers below.
- Main paper — S.P. Huber et al., Scientific Data 7, 300 (2020). doi:10.1038/s41597-020-00638-4
- Engine paper — M. Uhrin et al., Computational Materials Science 187, 110086 (2021). doi:10.1016/j.commatsci.2020.110086
- First paper (ADES model) — G. Pizzi et al., Computational Materials Science 111, 218–230 (2016). doi:10.1016/j.commatsci.2015.09.013