Dr. Joseph Bennett was awarded an NSF XSEDE proposal entitled “Atomistic Insights into Safer Water and Cleaner Energy from Density Functional Theory” for high performance computing time on two separate machines, 50,000 hours on Comet at the San Diego Supercomputer Center and 50,000 hours on Bridges at the Pittsburgh Supercomputing Center. This proposal details the types of calculations needed to generate data for two new projects in his research here at UMBC. The first project gauges the likelihood of new materials to be stable photovoltaics and the second project combines first-principles calculations and experiments to compute the thermodynamics of mineral surface transformations in water.
XSEDE is an NSF-funded virtual organization that provides users access to high-performance computing and data resources, serving as the foundation for a national digital ecosystem.