The first walkthrough session focuses on FAIR workflows in materials science and engineering, with an emphasis on the workflow management systems supported by PMD. These systems provide frameworks for combining different software tools, as required for computational workflows, the steering of experimental processes, and data transformation workflows.

The workshop begins with an introduction to workflows, followed by an overview of the concepts that make them findable, accessible, interoperable, and reusable. In the second part, the practical workflow services operated by PMD will be discussed, including pyiron and SimStack, as well as the workflow store. Emphasis will be placed on the interplay between workflows and ontology developments within PMD.In the afternoon, the workflow management system pyiron will be explained in a hands-on session featuring specific use cases from atomistic simulations, continuum-scale simulations, and experimental applications. There will be ample time for questions.

Registration is required.
For registration and a detailed schedule, please visit the event website.