Bobby Sumpter Corporate Fellow, Emeritus Contact SUMPTERBG@ORNL.GOV All Publications Electronically Nonadiabatic Structural Transformations Promoted by Electron Beams The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding... The Fragment Molecular Orbital Method Based on Long-range Corrected Density-functional Tight-binding Chain conformation of polymer melts with associating groups Deep learning analysis of defect and phase evolution during electron beam-induced transformations in WS2 Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts” Direct Writing of Heterostructures In Single Atomically Precise Graphene Nanoribbons Isotope-Engineering the Thermal Conductivity of Two-Dimensional MoS2... A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations Dynamical disparity between hydration shell water and RNA in a hydrated RNA system Prediction of Carbon Dioxide Adsorption Via Deep Learning Design of Atomically Precise Nanoscale Negative Differential Resistance Devices... Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution Prediction of Carbon Dioxide Adsorption via Deep Learning Amphiphilic Bottlebrush Block Copolymers: Analysis of Aqueous Self-assembly by Small-angle Neutron Scattering and Surface Tension Measurements Adsorption of Molecular Nitrogen In Electrical Double Layers Near Planar and Atomically Sharp Electrodes Selectively Deuterated Poly(ε-caprolactone)s: Synthesis and Isotope Effects on the Crystal Structures and Properties Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite Interphase Structures and Dynamics Near Nanofiller Surfaces In Polymer Solutions On the morphological behavior of ABC miktoarm stars containing poly(cis 1,4‐isoprene), poly(styrene), and poly(2‐vinylpyridine) Assessing the Predictive Power of Density Functional Theory in Finite-Temperature Hydrogen Adsorption/Desorption Thermodynamics On the morphological behavior of ABC miktoarm stars containing poly(cis 1,4-isoprene), poly(styrene), and poly(2-vinylpyridine) Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush Enhanced scattering induced by electrostatic correlations in concentrated solutions of salt-free dipolar and ionic polymers Theoretical and experimental evidence of conformational transformation in stereoisomers of nucleoside analogues Pagination First page « First Previous page ‹‹ … Page 6 Current page 7 Page 8 … 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
