Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Amplifying Nanoparticle Reinforcement through Low Volume Topologically Controlled Chemical Coupling Digital twins and deep learning segmentation of defects in monolayer MX2 phases Importance of hydrogen bonding in base-catalyzed transesterification reactions with vicinal diols Unveiling mesoscopic structures in distorted lamellar phases through deep learning-based small angle neutron scattering analy... Digital twins in materials and chemical sciences Defects go green: using defects in nanomaterials for renewable energy and environmental sustainability Enriching 2D transition metal borides via MB XMenes (M = Fe, Co, Ir): Strong correlation and magnetism... Direct Visualization of Charge Migration in Bilayer Tantalum Oxide Films by Multimodal Imaging Coarse-grained explicit-solvent molecular dynamics simulations of semidilute unentangled polyelectrolyte solutions Scale-free switching of polarization in the layered ferroelectric material CuInP2S6 Nanoscale imaging of He-ion irradiation effects on amorphous TaOx toward electroforming-free neuromorphic functions Mesoscopic two-point collective dynamics of glass-forming liquids Can a deep-learning model make fast predictions of vacancy formation in diverse materials? Chemical upcycling of polyethylene, polypropylene, and mixtures to high-value surfactants Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO2 Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation Selective deconstruction of mixed plastics by a tailored organocatalyst Anti-polyelectrolyte and polyelectrolyte effects on conformations of polyzwitterionic chains in dilute aqueous solutions Mechanisms Controlling the Energy Barrier for Ion Hopping in Polymer Electrolytes The Role of SnO2 Processing on Ionic Distribution in Double-Cation–Double Halide Perovskites... A Graph Dynamical neural network approach for decoding dynamical states in ferroelectrics. Abisko: Deep codesign of an architecture for spiking neural networks using novel neuromorphic materials Inferring colloidal interaction from scattering by machine learning... Structure-Based Design of Dual Bactericidal and Bacteria-Releasing Nanosurfaces Understanding Interfacial Block Copolymer Structure and Dynamics Machine Intelligence-Centered System for Automated Characterization of Functional Materials and Interfaces Pagination First page « First Previous page ‹‹ Page 1 Current page 2 Page 3 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID Organizations Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory & Computation Section Nanomaterials Theory Institute Group Data NanoAnalytics Group