Santanu Roy R&D Staff Member Contact ROYS@ORNL.GOV All Publications Polymer Layer-Accelerated CO2 Absorption in Aqueous Amino Acid Solutions The Role of Nonequilibrium Solvent Effects in Enhancing Direct CO2 Capture at the Air–Aqueous Amino Acid Interface Ab initio simulated Van Hove correlation function for time-resolved local dynamics in molten MgCl2... Hierarchical Ion Interactions in the Direct Air Capture of CO2 at Air/Aqueous Interfaces Adsorption, Orientation, and Speciation of Amino Acids at Air–Aqueous Interfaces for the Direct Air Capture of CO2 Transient Covalency in Molten Uranium(III) Chloride... Deep-Learning Interatomic Potential Connects Molecular Structural Ordering to the Macroscale Properties of Polyacrylonitrile... Observation of a promethium complex in solution Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl3 Neural network based analysis of multimodal bond distributions using extended x-ray absorption fine structure spectra Synergistic Assembly of Charged Oligomers and Amino Acids at the Air–Water Interface: An Avenue toward Surface-Directed CO2... Tracing mechanistic pathways and reaction kinetics toward equilibrium in reactive molten salts An ab initio free energy study of the reaction mechanism and rate-limiting steps of CO2 capture by aqueous glycine Tuning aminopolycarboxylate chelators for efficient complexation of trivalent actinides Multiobjective Hyperparameter Optimization for Deep Learning Interatomic Potential Training Using NSGA-II Chemical Feedback in the Self-Assembly and Function of Air–Liquid Interfaces: Insight into the Bottlenecks of CO 2 Direct Air Capture Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt Nucleation Rate Theory for Coordination Number: Elucidating Water-Mediated Formation of a Zigzag Na2SO4 Morphology Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity A Holistic Approach for Elucidating Local Structure, Dynamics, and Speciation in Molten Salts with High Structural Disorder X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium... Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides A Molecular-Scale Approach to Rare-Earth Beneficiation: Thinking Small to Avoid Large Losses Structure and Dynamics of the Molten Alkali-Chloride Salts from an X-ray, Simulation, and Rate Theory Perspective... Pagination Current page 1 Page 2 Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID LinkedIn Organizations Physical Sciences Directorate Chemical Sciences Division Separations and Polymer Chemistry Section Carbon and Composites Group
