Achievement

Marshall McDonnell (IGERT associate, advised by Prof. David Keffer) has participated in workshops to exploit the incredible computational opportunities afforded by the two massively parallel supercomputers housed at Oak Ridge National Laboratory, including the NSF Track 2 petascale machine, Kraken, and the DOE machine, Titan, formerly Jaguar, the fastest non-classified supercomputer in the world. Marshall is using the machine to run molecular dynamics simulations of proton transport in novel fuel cell membranes. The goal is to provide a fundamental understanding of the mechanisms of proton transport in these materials that can be communicated to experimentalists who will incorporate this understanding in their synthesis of next generation membranes.