Paul Kent Distinguished R&D Staff Contact 865.574.4845 | KENTPR@ORNL.GOV All Publications 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-doped cuprate superconductors Charge Order Fluctuations in one-dimensional silicides Quantum Monte Carlo algorithms for electronic structure at the petascale; the endstation project Density-density functionals and effective potentials in many-body electronic structure calculations Electronic structure of xDNA... The effects of annealing on the structural, optical, and vibrational properties of lattice-matched GaAsSbN/GaAs grown by mole... Pagination First page « First Previous page ‹â¶Ä¹ … Page 6 Page 7 Current page 8 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
