Bobby Sumpter Corporate Fellow, Emeritus Contact SUMPTERBG@ORNL.GOV All Publications Scattering-Based Structural Inversion of Soft Materials via Kolmogorov-Arnold Networks Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG) A discretized representation for Monte Carlo simulation of deformed semiflexible chains The Significance of the 'Insignificant': Non-covalent Interactions in CO2 Reduction Reactions with 3C-TM (TM = Sc-Zn) Single-Atom Catalysts Off-Lattice Markov Chain Monte Carlo Simulations of Mechanically Driven Polymers In-silico Analysis of High Refractive Index Materials through Principles of Materials Design: Using a hybrid of Quantum, Semi... Multi-Task CRADA No. NFE-10-02672 With Procter and Gamble Inferring Structure Factors of Charge Stabilized Colloids from Scattering Using Machine Learning Identifying Topological Defects in Lamellar Phases through Contour Analysis of Complex Wave Fields Underlying Roles of Polyol Additives in Promoting CO2 Capture in PEI/Silica Adsorbents... First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes Neutron spin echo shows pHLIP is capable of retarding membrane thickness fluctuations... Accelerated Sequence Design of Star Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning Viscoelastic relaxation and topological fluctuations in glass-forming liquids Viscoelastic relaxation and topological fluctuations in glass-forming liquids... Amplifying Nanoparticle Reinforcement through Low Volume Topologically Controlled Chemical Coupling Unveiling mesoscopic structures in distorted lamellar phases through deep learning-based small angle neutron scattering analysis Digital twins and deep learning segmentation of defects in monolayer MX2 phases... Importance of hydrogen bonding in base-catalyzed transesterification reactions with vicinal diols 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 Nanoscale imaging of He-ion irradiation effects on amorphous TaOx toward electroforming-free neuromorphic functions Coarse-grained explicit-solvent molecular dynamics simulations of semidilute unentangled polyelectrolyte solutions 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
Research Highlight Deep Learning Infers Structures of General Lyotropic Phases from Small Angle Neutron Scattering
