Paul Kent Distinguished R&D Staff Contact KENTPR@ORNL.GOV All Publications Interfacial charge transfer and interaction in the MXene/TiO2 heterostructures Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods Intercalation-Induced Reversible Electrochromic Behavior of Two-Dimensional Ti3C2Tx MXene in Organic Electrolytes Perspectives on van der Waals Density Functionals: The Case of TiS 2 Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young’s modulus Metal–insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface... Systematic Comparison and Cross-validation of Fixed-Node Diffusion Monte Carlo and Phaseless Auxiliary-Field Quantum Monte Carlo in Solids Tracking ion intercalation into layered Ti 3 C 2 MXene films across length scales The correlation between N deficiency and the mechanical properties of the Ti2AlNy MAX phase Doped NiO: The mottness of a charge transfer insulator... Multiscale and Multimodal Characterization of 2D Titanium Carbonitride MXene Multiscale and Multimodal Characterization of 2D Titanium Carbonitride MXene Effects of Surface Terminations of 2D Bi2WO6 on Photocatalytic Hydrogen Evolution from Water Splitting Exascale Applications: Skin in the Game Local structure of potassium doped nickel oxide: a combined experimental-theoretical study Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities Interfacial and electronic properties of heterostructures of MXene and graphene Edge Segregated Polymorphism in 2D Molybdenum Carbide Compton profile of VO2 across the metal-insulator transition: Evidence of a non-Fermi liquid metal... Self-diffusion of Ti interstitial based point defects and complexes in TiC... Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage Gaussian process based optimization of molecular geometries using statistically sampled energy surfaces from quantum Monte Carlo Coupling of Acetaldehyde to Crotonaldehyde on CeO2–x(111): Bifunctional Mechanism and Role of Oxygen Vacancies Pagination First page « First Previous page ‹‹ Page 1 Current page 2 Page 3 … 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
