Santanu Roy

R & D Associate


University of Groningen, The Netherlands       Ph.D.      2012                 Natural Science

University of Pune, India                                  M.Sc.      2006                 Physics

University of Calcutta, India                             B.Sc.       2004                 Physics (HONS),                                                                                                                    Chemistry, Mathematics  

Research and Professional Experience

2020 – Present  Research and Development Associate, Carbon and Composites Group, Chemical Sciences  Division, ORNL, USA 

2017 – 2019      Postdoctoral Research Associate, Chemical Separations Group, Chemical Sciences  Division, ORNL, USA   

2014 – 2017      Postdoctoral Research Associate, Chemical Physics and Analysis Group, Physical Sciences Division, PNNL, USA

2012 – 2014      Postdoctoral Research Associate, Department of Chemistry, University of Wisconsin, Madison, Wisconsin, USA


Research Expertise   1. Computational Nonlinear Spectroscopy (Modeling Light-Matter Interactions)  

                                     2. Ab Initio and Force Field-Based Molecular Dynamics Simulations 

                                     3. Statistical Mechanics (Rare-Event Theory) 

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. Carbon capture and conversion

                                    5. Carbon-based materials with superior properties