Scientific Workflows for Scattering Science January 31-February 2, 2013
California Institute of Technology
A scientific workflow for scattering science is a sequence of computational steps that allows comparisons of reduced experimental data to models of structure or dynamics, or connects modern computational materials science to experimental scattering data.
Today computational scientific workflows are generally standalone packages with focused purpose, and their components are not easily separated for inclusion into new workflows. A greater range of workflows can be developed with more modular software, but greater flexibility requires more user sophistication. How is this balance best determined? What investments in software flexibility and user support offer the best value?