InterCat seminar

Speaker: Miguel Caro, University of Gothenburg, Sweden

Title: Atomistic simulation with machine learning potentials and experimental observables

"In this talk I will show our group's work on Monte Carlo and molecular dynamics simulations where the atomistic structure of a material is optimized to match experimental observables (currently, XRD and XPS) and physical constraints are imposed in the form of a high-quality machine learning potential."