Atomistic Simulations und Exascale Computing

Speaker: Helmut Grubmüller (external, Max Planck Institute for Biophysical Chemistry Göttingen)
Date: Wednesday, 2 December 2015, 15:00-16:45
Session: Molecular Dynamics I
Talk type: Keynote talk (45 min)

Abstract: The exascale computing becoming reality, the challenge is to keep several hundred thousands to missions of cores busy. In my lecture I will provide an overview and an outlook to upcoming methodological and application scenarios as well as the resulting implementation opportunities: Super-large simulation systems, disordered proteins, and dynamic protonation / constant pH simulations.