The European Spallation Source ERIC (ESS) is a European Research Infrastructure Consortium (ERIC) and ESFRI with 15 partner countries committed to the goal of collectively building and operating the world's leading facility for materials research using neutrons by the second quarter of the 21st Century. When in full operations, ESS will service thousands of materials scientists every year who will need computational modelling and simulations in order to be able to analyse and interpret the experimental data acquired at ESS. The set of computational techniques required is diverse and encompasses for instance fitting to phenomenological models, density functional theory calculations, machine learning, Monte Carlo ray-tracing techniques, and molecular dynamics specialized to specific scientific domains such as magnetism, protein crystallography, and engineering. This presentation will give examples of some of the techniques and present the challenges associated with providing such a diverse toolset for modelling and simulations. Moreover, it will be discussed how ESS addresses these challenges based on Pan-European collaboration with focus on improving the user experience of software which often carries with them significant technical debt.
About the speaker:
Dr. Thomas Holm Rod is the Group Leader for the Data Analysis and Modelling Group at the European Spallation Source’s Data Management and Software Centre. In this role, he is responsible for providing analysis and modelling software and services to the neutron scattering users of the European Spallation Source based on development in his own group as well as development from other neutron sources and universities. Dr. Rod was awarded a Ph.D. degree in computational physics in 2000 from Technical University of Denmark. In the following years, he applied and developed modelling and simulation methods for material research in both academic and commercial software development corporations in USA, Sweden, and Denmark, before he started to work for the European Spallation Source in 2011.