Webinar Training on HOOMD-blue

November 28th, 2013

The Virtual School of Computational Science and Engineering is hosting two upcoming webinars.

  • Introduction to HOOMD-blue, December 10, 2013, 11:00 EST.
  • Using HOOMD-blue for Polymer Simulations and Big Systems, January 21, 2014, 11:00 EST.

More information and registration: http://www.vscse.org/

Introduction to HOOMD-blue by Joshua A. Anderson, PhD: HOOMD-blue is a general-purpose Molecular Dynamics simulation code accelerated on GPUs. This live interactive webinar will offer an introduction to HOOMD-blue, a description of what it does, how to download and install it as well as example simulations of the Lennard-Jones fluid. The target audience is all individuals interested in MD simulation, but prior knowledge is not required. Materials will be introductory, beginning with MD basics and moving into details of HOOMD-blue. A wide range of topics will be briefly covered, giving potential users an idea of how to do all the steps in a simulation, including defining parameters, executing the simulation and examining the output.

Using HOOMD-blue for Polymer Simulations and Big Systems by Dr. Jens Glaser: 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.