Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Integrating advanced materials simulation techniques into an automated data analysis workflow at the Spallation Neutron Sourc... Tunable water desalination across Graphene Oxide Framework membranes... Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions... Untangling the isotopic effects of deuteration on the optoelectronic properties of conducting polymers... Solvent-type-dependent polymorphism and charge transport in a long fused-ring organic semiconductor... Density-fitted singles and doubles coupled cluster on graphics processing units... A Comparative Study of Phosphoric Acid-doped m-PBI Membranes... Electronic Bandgap and Edge Reconstruction in Phosphorene Materials An Integrated Approach for Structural Characterization of Complex Solid State Electrolytes: The Case of Lithium Lanthanum Tit... Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides... A reversible strain-induced electrical conductivity in cup-stacked carbon nanotube... Spin-Resolved Self-Doping Tunes the Intrinsic Half-Metallicity of AlN Nanoribbons ... Understanding the origin of high-rate intercalation pseudocapacitance in Nb2O5 crystals... Theory of the Miscibility of Fullerenes in Random Copolymer Melts... Enhanced phase segregation induced by dipolar interactions in polymer blends... Molecular Heterogeneity of Polystyrene-modified Fullerene Core Stars... Molecular Dynamics Simulations of Graphene Oxide Frameworks... Tuning From Half-Metallic to Semiconducting Behavior in SiC Nanoribbons... Ionic Disproportionation of Charge Transfer Salt Driven by Surface Epitaxy... Poly(3-hexylthiophene) molecular bottlebrushes via ring-opening metathesis polymerization: Macromolecular architecture enhanc... Electronic, Thermal, and Structural Properties of Graphene Oxide Frameworks... Self-Organized and Cu-Coordinated Surface Linear Polymerization... Electronic Transport in Graphitic Carbon Nanoribbons... Modeling and simulation of electron transport at the nanoscale: illustrations in low-dimensional carbon nanostructures... High-Temperature Transformation of Fe-Decorated Single-Wall Carbon Nanohorns to Nanooysters: A Combined Experimental and Theo... Pagination First page « First Previous page ‹‹ … Page 13 Current page 14 Page 15 … 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