Paul Kent Distinguished R&D Staff Contact KENTPR@ORNL.GOV All Publications Intrinsic low thermal conductivity in weakly ionic rocksalt structures Computational Discovery of Ferromagnetic Semiconducting Single-Layer CrSnTe_3... Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes) Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo Reactive Force Field study of Li/C Systems for Electrical Energy Storage... Criteria for predicting the formation of single-phase high-entropy alloys... A novel and functional single-layer sheet of ZnSe Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry Criteria for predicting the formation of single-phase high-entropy alloys A Novel and Functional Single‐Layer Sheet of ZnSe Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes) A Novel and Functional Single‐Layer Sheet of ZnSe Binding and Diffusion of Lithium in Graphite: Quantum Monte-Carlo benchmarks and validation of van der Waals density functional methods Successes and failures of Hubbard-corrected density functional theory: The case of Mg doped LiCoO2... Geochemical Reaction Mechanism Discovery from Molecular Simulation... Density functional theory study of oxygen reduction activity on ultrathin platinum nanotubes... Understanding the Interactions Between Oxygen Vacancies at SrTiO3 (001) Surfaces... Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries... Ab initio quantum Monte Carlo calculations of spin superexchange in cuprates: the benchmarking case of Ca2CuO3 Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides Vibrational Density of States of Strongly H‑Bonded Interfacial Water:Insights from Inelastic Neutron Scattering and Theory Vibrational density of states of strongly H-bonded interfacial water: insights from inelastic neutron scattering and theory Vibrational Density of States of Strongly H-Bonded Interfacial Water: Insights from Inelastic Neutron Scattering and Theory Solvent-type-dependent polymorphism and charge transport in a long fused-ring organic semiconductor Role of Surface Structure on Li-ion Energy Storage Capacity of Two-dimensional Transition Metal Carbides Pagination First page « First Previous page ‹‹ … Page 4 Current page 5 Page 6 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID LinkedIn IMPACT@ORNL GitHub Center for Predictive Simulation of Functional Materials Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Advanced Computing Methods for Physical Sciences Section Computational Chemistry and Nanomaterials Sciences Group Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory and Computation Section Nanomaterials Theory Institute Group
