Dr. Sara E. Mason is the Group Leader of Theory and Computation at the Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory. The Theory and Computation Facility at CFN provides computing and expertise in computational materials science. The team deploys physics-based and AI/ML modeling for nanoscience’s evolving challenges. Mason’s research integrates electronic structure calculations with thermodynamics modeling, bridging the gap between experimental measurements and theoretical predictions in nanoscience. With a strong emphasis on collaboration, Sara works closely with experimentalists to develop and apply computational methods for materials discovery, with applications spanning energy storage, hybrid materials, and nano-enabled agriculture.

Before joining Brookhaven National Laboratory, Sara was a faculty member in the Department of Chemistry at the University of Iowa, where she led a research program in computational chemistry and materials science, receiving an NSF CAREER award in 2013 and serving as director of graduate students 2020-2022. She earned an A.A.S. from Monroe Community College and a Ph.D. in Chemistry from the University of Pennsylvania, and was an NRC Research Associate at NIST.