Advances in Density Functional Theory I

Presentations

• \textbf{SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials}

  COFFEE_KLATCH · Invited

  March 14, 2016, 8:00 AM – March 14, 2016, 8:36 AM

  Authors

  • Jianwei Sun

    • Temple University
    • Temple Univ

  View abstract →

• SCAN+rVV10: A promising van der Waals density functional

  ORAL

  March 14, 2016, 8:36 AM – March 14, 2016, 8:48 AM

  Authors

  • Haowei Peng

    • Department of Physics, Temple Univeristy

  • Zeng-Hui Yang

    • Department of Physics, Temple Univeristy

  • Jianwei Sun

    • Department of Physics, Temple Univeristy

  • John Perdew

    • Department of Physics, Temple Univeristy

  View abstract →

• The optimized effective potential of meta-generalized gradient approximations in solids

  ORAL

  March 14, 2016, 8:48 AM – March 14, 2016, 9:00 AM

  Authors

  • Zenghui Yang

    • Department of Physics, Temple University

  • John Perdew

    • Department of Physics, Temple University

  View abstract →

• Characterization of Thin Film Materials using SCAN MetaGGA, an Accurate Nonempirical Density Functional

  ORAL

  March 14, 2016, 9:00 AM – March 14, 2016, 9:12 AM

  Authors

  • Ioana-Gianina Buda

    • Northeastern University

  • Chris Lane

    • Northeastern University
    • Northeastern U.

  • Bernardo Barbiellini

    • Northeastern University

  • Adrienn Ruzsinszky

    • Temple University

  • Jianwei Sun

    • Temple University
    • Temple Univ

  • John P. Perdew

    • Temple University

  • Arun Bansil

    • Northeastern Univ
    • Northeastern University

  View abstract →

• Comparative first-principles study of clean-surface properties of metals

  ORAL

  March 14, 2016, 9:12 AM – March 14, 2016, 9:24 AM

  Authors

  • Abhirup Patra

    • Department of Physics, Temple University

  • Jianwei Sun

    • Department of Physics, Temple University

  • John Perdew

    • Department of Physics, Temple University

  View abstract →

• A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

  ORAL

  March 14, 2016, 9:24 AM – March 14, 2016, 9:36 AM

  Authors

  • Jefferson Bates

    • Temple University

  • Savio Laricchia

    • Temple University

  • Adrienn Ruzsinszky

    • Temple University

  View abstract →

• Semiclassical origins of density functionals

  COFFEE_KLATCH · Invited

  March 14, 2016, 9:36 AM – March 14, 2016, 10:12 AM

  Authors

  • Kieron Burke

    • University of California, Irvine
    • UC Irvine

  View abstract →

• Semiclassical potential functionals for semiconductor quantum wells

  ORAL

  March 14, 2016, 10:12 AM – March 14, 2016, 10:24 AM

  Authors

  • Attila Cangi

    • Max Planck Institute of Microstructure Physics

  View abstract →

• Thermal Corrections to Density Functional Simulations of Warm Dense Matter

  ORAL

  March 14, 2016, 10:24 AM – March 14, 2016, 10:36 AM

  Authors

  • Justin Smith

    • University of California, Irvine

  • Aurora Pribram-Jones

    • University of California, Irvine

  • Kieron Burke

    • University of California, Irvine
    • UC Irvine

  View abstract →

• Study of the large reduced density gradient limit for the exchange energy

  ORAL

  March 14, 2016, 10:36 AM – March 14, 2016, 10:48 AM

  Authors

  • Jose Gazquez

    • Universidad Autonoma Metropolitana-Iztapalapa

  • Javier Carmona-Espindola

    • Universidad Autonoma Metropolitana-Iztapalapa

  • Alberto Vela

    • Centro de Investigación y de Estudios Avanzados

  • Sam Trickey

    • QTP, Department of Physics and Chemistry, U. Florida, Gainesville, Fl, 32611
    • Physics Dept., Univ. Florida
    • University of Florida

  View abstract →

• Study of adiabatic connection in ground-state density functional theory

  ORAL

  March 14, 2016, 10:48 AM – March 14, 2016, 11:00 AM

  Authors

  • Manoj Harbola

    • Indian Inst of Tech-Kanpur

  • Rabeet Chauhan

    • Indian Inst of Tech-Kanpur

  View abstract →