Argonne Chemist, Rajeev Assary’s research interests include fundamental and applied aspects of computational modeling based on quantum chemistry in biomass catalysis and beyond-lithium-ion energy storage systems. He conducts research for JCESR, the Consortium for Computational Physics and Chemistry, and the UChicago/Argonne Strategic Collaborative Initiative.

As a part of JCESR, Assary contributed to the R&D efforts of the Non-Aqueous Redox Flow and Chemical Transformation Thrusts using first principle modeling simulations, which resulted in 25 publications and two book chapters.