Presenter

Dr. Mathieu Taillefumier is a computational scientist and research software developer at the Swiss National Supercomputing Centre (CSCS)/ETH Zurich. With a background in theoretical condensed matter physics, he works with several HPC programs used internationally for materials science, chemical physics and computational chemistry, and is a developer of the CP2K program and the SIRIUS library. Recent work has included the study of the effects of nondeterministic kernels on reproducibility within deep neural network potentials trained on quantum mechanical calculations.