Researchers can run computer simulations of the physical movements of atoms and molecules and make inferences about the dynamic evolution of the system. This method of simulation, called molecular dynamics, is used at many computing centers across the country in areas such as materials science and biology. These simulations can yield extremely detailed understanding of…

The Exascale Computing Project has initiated its sixth Co-Design Center, ExaLearn, to be led by Principal Investigator Francis J. Alexander, Deputy Director of the Computational Science Initiative at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory. ExaLearn is a co-design center for Exascale Machine Learning (ML) Technologies and is a collaboration initially consisting of experts from…