Seminars & Events

Argonne Leadership Computing Facility
"The Challenge of Long-Timescale Molecular Dynamics Simulations of Biological Systems"

DATE: November 6, 2009 to November 6, 2009
TIME: 10:30 AM - 11:30 AM
SPEAKER: Dr. Philip D. Blood, Sr. Scientific Specialist, Pittburgh Supercomputing Facility, Carnegie Mellon University
LOCATION: Building 240 / Room 1172 (1C2), Argonne National Labortory

Description:
Molecular dynamics (MD) simulations offer a tantalizing window into the workings of biological systems in full atomistic detail. The promise of this methodology for obtaining detailed understanding of biomolecular mechanisms depends in part on the ability of these simulations to reach biologically-relevant timescales. Due to the tremendous gap between the timescales of atomistic motion and the timescales of biological processes, simulation of these processes requires extremely efficient parallel implementations of MD algorithms on high performance computing systems. Recent implementations of MD algorithms on specialized hardware are poised to significantly increase our ability to study biological processes, as well as vigorously test the accuracy of these methods. In this talk I will discuss, in the context of these recent developments, some of my work to facilitate the study of biological processes through molecular dynamics simulations.

Save the event to your calendar [schedule.ics]