Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Protein Resistance Driven by Polymer Nanoarchitecture... Noncontact tip-enhanced Raman spectroscopy for nanomaterials and biomedical applications Noncontact tip-enhanced Raman spectroscopy for nanomaterials and biomedical applications... Understanding the effects of dipolar interactions on the thermodynamics of diblock copolymer melts... The Influence of Curvature on Domain Distribution in Binary Mixture Membranes... A dicyanobenzoquinone based cathode material for rechargeable lithium and sodium ion batteries... Artificial neural network correction for density-functional tight-binding molecular dynamics simulations... 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... Comment on “Relating Chain Conformations to Extensional Stress in Entangled Polymer Melts”... Deep learning analysis of defect and phase evolution during electron beam-induced transformations in WS2... Direct Writing of Heterostructures In Single Atomically Precise Graphene Nanoribbons Isotope-Engineering the Thermal Conductivity of Two-Dimensional MoS2... Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries... 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 A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynami... 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... Interphase Structures and Dynamics Near Nanofiller Surfaces In Polymer Solutions 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... Pagination First page « First Previous page ‹‹ … Page 5 Current page 6 Page 7 … 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