Skip to main content

Thank you for visiting You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

Automated reproducible workflows and data provenance with AiiDA

This is a preview of subscription content, access via your institution

Access options

Buy article

Get time limited or full article access on ReadCube.


All prices are NET prices.


The author acknowledges all contributors to AiiDA ( and the ACWF (, as well as N. Marzari and G. Pizzi for their conception, guidance and continued support of the project. The author also thanks the many supporting projects, partners, institutions and funders ( coordinated under the SNSF NCCR MARVEL.

Author information

Authors and Affiliations


Corresponding author

Correspondence to Sebastiaan P. Huber.

Ethics declarations

Competing interests

The author declares no competing interests.

Rights and permissions

Reprints and Permissions

About this article

Verify currency and authenticity via CrossMark

Cite this article

Huber, S.P. Automated reproducible workflows and data provenance with AiiDA. Nat Rev Phys 4, 431 (2022).

Download citation

  • Published:

  • Issue Date:

  • DOI:


Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing