Paul R Kent Distinguished R&D Staff Contact kentpr@ornl.gov | 865.574.4845 All Publications 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-... 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 ‹‹ … Page 6 Page 7 Current page 8 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