cff-version: "1.2.0"
authors:
- family-names: Janssen
  given-names: Jan
  orcid: "https://orcid.org/0000-0001-9948-7119"
- family-names: George
  given-names: Janine
  orcid: "https://orcid.org/0000-0001-8907-0336"
- family-names: Geiger
  given-names: Julian
  orcid: "https://orcid.org/0000-0003-0023-1960"
- family-names: Bercx
  given-names: Marnik
  orcid: "https://orcid.org/0000-0001-8470-1012"
- family-names: Wang
  given-names: Xing
- family-names: Ertural
  given-names: Christina
  orcid: "https://orcid.org/0000-0002-7696-5824"
- family-names: Schaarschmidt
  given-names: Joerg
  orcid: "https://orcid.org/0000-0002-4389-2366"
- family-names: Ganose
  given-names: Alex
  orcid: "https://orcid.org/0000-0002-4486-3321"
- family-names: Pizzi
  given-names: Giovanni
  orcid: "https://orcid.org/0000-0002-3583-4377"
- family-names: Hickel
  given-names: Tilmann
  orcid: "https://orcid.org/0000-0003-0698-4891"
- family-names: Neugebauer
  given-names: Joerg
  orcid: "https://orcid.org/0000-0002-7903-2472"
title: "A Python workflow definition for computational materials design"
version: 0.1.1
doi: 10.1039/D5DD00231A
date-released: 2025-10-25
license: bsd-3-clause
url: "https://github.com/pythonworkflow/python-workflow-definition"