Computational Modeling and Simulation at the Petascale: A Computational Scientist’s View
MONDAY, APRIL 1ST, 2013, 1:30 – 3:30 PM
307 EBERLY HALL
ABSTRACT: In this talk I’ll present our work on large-scale parallel kinetic lattice-Boltzmann (LB) simulations of the spontaneous self-assembly of complex liquid crystaline materials. These nanomaterials are increasingly gaining importance as delivery vehicles for active agents in pharmaceuticals and food technology. In many of these applications, the self-assembled structures are subject to flows of varying strengths and our simulations have provided valuable insight into the rheological response of these materials. I’ll describe the Application Hosting Environment, a state-of-the-art middleware for grid/cloud computing that has enabled us to construct complex workflows involving deployment of simulations on geographically distributed supercomputers and accessing petascale computational storage and visualization resources. Lastly, I’ll discuss the role of optimized libraries and community software in enabling high performance computational science and recent work that has been done in this area.