Python Workflow Definition Workflow interoperability for workflows in materials science Publication: J. Janssen, J. George, J. Geiger, M. Bercx, X. Wang, C. Ertural, J. Schaarschmidt, A.M. Ganose, G. Pizzi, T. Hickel and J. Neugebauer. A python workflow definition for computational materials design. Digital Discovery, 2025 Supported workflow engines: aiida-workgraph jobflow pyiron_base The main components of the Python Workflow Definition are: Documentation 📚 Python Package 📦 Template Repository 🚚 The Python Workflow Definition is demonstrated on three example workflows: example-workflow NFDI4Ing-workflow quantum-espresso-bulk-modulus-workflow