Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Autonomous Continuous Flow Reactor Synthesis for Scalable Atom-Precision... Assembly of polyelectrolyte star block copolymers at the oil–water interface Local conformations and heterogeneities in structures and dynamics of isotactic polypropylene adsorbed onto carbon fiber... Extracting Inelastic Scattering Cross Sections for Finite and Aperiodic Materials from Electronic Dynamics Simulations CO2-Assisted Oxidative Dehydrogenation of Propane over VOx/In2O3 Catalysts: Interplay between Redox Property and Acid–Base ... A Novel Dynamic Polymer Synthesis via Chlorinated Solvent Quenched Depolymerization Highly fluorescent purine-containing conjugated copolymers with tailored optoelectronic properties... Decoding polymer self-dynamics using a two-step approach... The local topological free energy of the SARS-CoV-2 Spike protein... Strain-Induced asymmetry and on-site dynamics of silicon defects in graphene... Fingerprinting Brownian Motions of Polymers under Flow... Quantum theory of electronic excitation and sputtering by transmission electron microscopy... Understanding the Impacts of Support–Polymer Interactions on the Dynamics of Poly(ethyleneimine) Confined in Mesoporous SBA... From ground to excited electronic state dynamics of electron and ion irradiated graphene nanomaterials... Physically Informed Machine Learning Prediction of Electronic Density of States... From classical to quantum dynamics of atomic and ionic species interacting with graphene and its analogue... Small angle scattering of diblock copolymers profiled by machine learning... Bridging microscopy with molecular dynamics and quantum simulations: an atomAI based pipeline... Dynamic aspects of graphene deformation and fracture from approximate density functional theory... Deep Generative Models for Materials Discovery and Machine Learning-Accelerated Innovation... A machine learning inversion scheme for determining interaction from scattering... Learning in continuous action space for developing high dimensional potential energy models... Inverse design of two-dimensional materials with invertible neural networks... On-surface cyclodehydrogenation reaction pathway determined by selective molecular deuterations... Structural and dynamical roles of bound polymer chains in rubber reinforcement... Pagination First page « First Previous page ‹‹ … Page 2 Current page 3 Page 4 … 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