Paul Kent Distinguished R&D Staff Contact KENTPR@ORNL.GOV All Publications Improved Hydrocarbon Potentials for Sputtering Studies Nanodopant-Induced Band Modulation in AgPbmSbTe2+m-Type Nanocomposites Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder... Accurate static and dynamic properties of liquid-electrolytes for Li-ion batteries from ab initio molecular dynamics... 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... 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 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 Functionals for Weakly Bonded Systems Systematic reduction of sign errors in many-body calculations of atoms and molecules... Atomistic Structure and Nucleation of Nanoprecipitates in Thermoelectric PbTe- AgSbTe Composite... van der Waals forces: Accurate calculation and assessment of approximate methods in dielectric nanocolloids up to 16nm... Structure of YSi2 nanowires from scanning tunneling spectroscopy and first-principles Hydrogen Bonds and Vibrations of Water on (110) Rutile.... Hydrogen Bonds and Vibrations of Water on (110) Rutile... Thermodynamic properties of PbTe, PbSe, and PbS: a first-principles study... 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. Pagination First page « First Previous page ‹â¶Ä¹ … Page 6 Current page 7 Page 8 Next page ›â¶Äº Last page Last » Key Links Curriculum Vitae 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
