Dr. Jens Glaser
Department of Chemical Engineering
University of Michigan
In this webinar, Dr. Glaser will demonstrate how real-world computational research in soft matter physics can be accelerated on a GPU-equipped desktop computer with the HOOMD-blue molecular dynamics software. A presentation of how to set up a simulation of a dense polymer liquid, and how to analyze and visualize the results is provided. There will be a demonstration of how self-assembled ordered structures of block copolymers emerge out of an initially disordered configuration. With external potentials, an artificially ordered phase can be produced as well. HOOMD-blue’s easy-to-use scripting interface and plug-ins are used to create a productive work-flow and extend its capabilities. As an advanced topic, there will be a discussion of how the upcoming version of HOOMD-blue can be used on compute clusters running on ten to hundreds of GPUs in parallel, to boost simulations of long polymer chains or large-scale systems.