John Grime, Postdoctoral Scholar, Center for Multiscale Theory and Simulation
 "A New Approach to Coarse-grained Molecular Dynamics"
  The combination of modern supercomputing hardware with “ultra-coarse-grained” (UCG) molecular models can investigate entirely new classes of biochemical phenomena. To harness the full potential of UCG models in a massively parallel simulation, several key problems must be overcome to ensure good parallel load balancing and limit the memory requirements for very large molecular systems. This talk will describe the recent developments in the Voth Group which address these issues, providing a new platform for molecular simulations at very large scales.

Katrin Heitmann, CI Senior Fellow & Physicist / Computational Scientist, Argonne National Laboratory
I will introduce HACC, the Hardware/Hybrid Accelerated Cosmology Code, which is being developed to combat the tremendous computational challenge to simulate our Universe. HACC is a new and evolving cosmology N-body code framework, designed to run very efficiently on diverse computing architectures and to scale to millions of cores and beyond. I present a description of the design philosophy of HACC, the underlying algorithms and code structure, and outline some implementation details for several specific architectures.