Forschungszentrum Jülich GmbH
Many workflow descriptions exist that support computational science. These workflows are commonly described on two layers: the top layer has the abstract description, while the bottom layer provides all the technical details of the operating procedure. In contrast to computational workflows, which are performed on machines, experimental workflows are often not machine-readable and have to be executed by humans. Here, we present our work on combining the workflow concepts and implementing them for both experimental and computational materials science. The pyiron workflow engine allows users to combine building blocks and graphically represent the workflows. Instrument operating procedures are shown to the experimental scientists in the lab on various devices, including mobile devices. These workflows are executed on the same engine and use the same language and structure. In this presentation, we will demonstrate different workflows and how experimental and computational scientists can work together on common workflows, bridging the different disciplines.
Abstract
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