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Bobby G. Sumpter
Researcher at Oak Ridge National Laboratory
Publications - 652
Citations - 28014
Bobby G. Sumpter is an academic researcher from Oak Ridge National Laboratory. The author has contributed to research in topics: Polymer & Graphene. The author has an hindex of 60, co-authored 619 publications receiving 23583 citations. Previous affiliations of Bobby G. Sumpter include University of Florida & Cornell University.
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Molecular dynamics treatment of torsional interactions accompanied by dissociation
TL;DR: In this article, a bend angle switching function is proposed to make torsional forces vanish around the linear bend limit in a well-defined manner, as expected on physical grounds, by observing that any internal force must not move the center of mass of the particles involved.
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Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design
TL;DR: In this article, density functional theory calculations are used to explore the hexagonal (HX) NiAs-like polymorphs of Zr(B,C,N) and compare them with the corresponding Hagg-like face-centered-cubic rocksalt (B1) phases.
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Theory of the Miscibility of Fullerenes in Random Copolymer Melts
TL;DR: In this paper, a statistical mechanical basis was developed for designing random AB copolymers to optimize fullerene dispersion at intermediate copolymer compositions, and pair correlation calculations revealed a strong sensitivity of interfacial packing near the fullerenes to copolym composition and adsorption energy mismatch.
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Theoretical modeling on the kinetics of the arsenate-ester hydrolysis: implications to the stability of As-DNA
TL;DR: Quantum chemical calculations reveal that neither steric hindrance nor less polar solvent medium is able to reduce the otherwise high hydrolysis rate of arsenate-esters, raising questions about the stability of As-DNA not only in aqueous but also in non-aqueous environments.
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Light-Activated Hybrid Nanocomposite Film for Water and Oxygen Sensing.
Eric S. Muckley,Liam Collins,Anton V. Ievlev,Xinyi Ye,Kim Kisslinger,Bobby G. Sumpter,Nickolay V. Lavrik,Chang-Yong Nam,Ilia N. Ivanov +8 more
TL;DR: UV-induced fully reversible surface hydrophilicity of ZnO/SU-8 hybrid nanocomposites is demonstrated, demonstrating 96% accurate classification of water and oxygen environment with sub 10 mTorr detection limits.