Speaker
Description
There are a broad range of activities and processes that can be described as computational workflows, and perhaps an even broader range of software to manage these workflows. At STFC, one solution in use is Galaxy, a web-based workflow management platform with a focus on reproducibility and provenance tracking.
Despite originating in the Bioinformatics community, Galaxy is domain agnostic and supports the development of custom tools in addition to providing out of the box user facing functionality for graphically creating workflows, training resources, and sharing of workflows/outputs between users.
This poster will present two use cases at STFC which leverage the Galaxy platform in different ways. First, producing digital objects (RO-Crates) from workflows performing X-ray Absorption Spectroscopy analysis in catalysis experiments. This reduces the barrier to producing FAIR digital objects for researchers and helps fully capture the provenance of research outputs during analysis. Second, as platform for building extensible and modular simulations of experimental conditions at the Extreme Photonics Applications Centre. These workflows can mix classical simulations with surrogate models to act as a digital twin and aid determination of appropriate experimental conditions before running experiments.