Achievement

Associate He is working on molecular dynamic simulations involving polymers. These polymers require a long relaxation time to reach equilibrium, and thus, long computational times. Tennessee’s National Institute for Computational Science at ORNL is committed to providing access to state-of-the-art computer research and education in computational science for STAIR students. Utilization of the NSF-funded Kraken supercomputers enables her to run simulations faster than on the University of Tennessee computers and to run more simulations at a time. These simulations provide the strength of adhesion of platinum nanoparticles on carbon electrode surfaces, which is the most important property in understanding catalyst loss during fuel cell operation.