Paul R Kent Distinguished R&D Staff Contact kentpr@ornl.gov | 865.574.4845 All Publications Controlling the Velocity of Jumping Nanodroplets Via Their Initial Shape and Temperature... Anomalous Lattice Dynamics near Ferroelectric Instability in PbTe... The role of polytetrahedral structures in the elongation and rupture of gold nanowires... Faster Proton dynamics of water on SnO2 compared to TiO2.... Understanding controls on interfacial wetting at epitaxial graphene: Experiment and Theory... Formation, characterization and dynamics of onion like carbon structures from nanodiamonds using reactive force-fields for el... Faster Proton Transfer Dynamics of Water on SnO2 Compared to TiO2... Cooperative interactions and novel structural ordering in H2S-H2... Role of hydroxyl groups on the stability and catalytic activity of Au clusters on rutile surface... The Rutile (110)-Water Interface: A comment on "Structure and Dynamics of Liquid Water on Rutile TiO2(110)" by L.-M. Liu, C.... Quantum Monte Carlo Calculations of Dihydrogen Binding Energetics on Ca Cations: an Assessment of Errors in Density Functiona... Systematic reduction of sign errors in many-body calculations of atoms and molecules... van der Waals forces: Accurate calculation and assessment of approximate methods in dielectric nanocolloids up to 16nm... Atomistic Structure and Nucleation of Nanoprecipitates in Thermoelectric PbTe- AgSbTe Composite... Structure of YSi2 nanowires from scanning tunneling spectroscopy and first-principles... Hydrogen Bonds and Vibrations of Water on (110) Rutile.... Thermodynamic properties of PbTe, PbSe, and PbS: a first-principles study... Hydrogen Bonds and Vibrations of Water on (110) Rutile... A Fast and efficient Algorithm for Slater Determinant Updates in Quantum Monte Carlo Simulations... Self-healing diffusion quantum Monte Carlo algorithms: direct reduction of the fermion sign error in electronic structure cal... The origin of nanoscale phase stability reversals in titanium-oxide polymorphs.... The origin of nanoscale phase stability reversals in titanium oxide polymorphs... Neutral and charged excitations in carbon fullerenes from first-principles many-body theories... Computational Challenges of Large-Scale Long-Time First-Principles Molecular Dynamics... Combined density functional and dynamical cluster quantum Monte Carlo calculations of the three-band Hubbard model for hole-... Pagination First page « First Previous page ‹‹ … Page 6 Current page 7 Page 8 Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID LinkedIn 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