Santanu Roy 23

Santanu Roy

R&D Staff Member

Santanu Roy is an R&D Staff in the Carbon and Composites Group, Chemical Sciences Division (CSD), Oak Ridge National Laboratory (ORNL). He joined ORNL a postdoctoral research associate in the Chemical Separations Group, CSD in May, 2017 and was promoted to a staff scientist in 2020. He received his Ph.D. in Natural Sciences from the Center for Theoretical Physics, Zernike Institute for Advanced Materials, University of Groningen, The Netherlands in 2012. He was a postdoctoral research associate in the Department of Chemistry, University of Wisconsin at Madison (2012–2014) and at Pacific Northwest National Laboratory (2014–2017) before joining ORNL. His research expertise includes ab initio and force field-based molecular dynamics (MD) simulations, development of reaction rate theory, and modeling and simulation of different molecular spectroscopic measurements including two-dimensional infrared/sum-frequency generation, X-ray scattering and absorption, and neutron scattering for condensed phase systems. His experience and interests lie in a wide variety of research problems as given below                           

Research Interests    1. Time-dependent physicochemical phenomena in condensed phase systems

                                    2. Clean water and water in energy

                                    3. Ion solvation, ion-pairing, ion transport in aqueous/ionic media (molten salts)

                                    4. Nucleation and crystal growth

                                    4. Carbon capture and conversion

                                    5. Carbon-based materials with superior properties