APS Logo

DFT and Beyond VI

FOCUS · J58 · ID: 353734

Presentations

  • Steady-State Density Functional Theory for quantum transport and spectral functions

    Invited

    –

    Presenters

    • Gianluca Stefanucci

      Physics Department, Univ of Roma, Physics, University of Rome Tor Vergata

    Authors

    • Gianluca Stefanucci

      Physics Department, Univ of Roma, Physics, University of Rome Tor Vergata

    • Stefan Kurth

      Departamento de Fiisica de Materiales, Universidad del Pais Vasco UPV/EHU

    • David Jacob

      Departamento de Fiisica de Materiales, Universidad del Pais Vasco UPV/EHU

    • Nahual Sobrino

      Departamento de Fiisica de Materiales, Universidad del Pais Vasco UPV/EHU

    View abstract →

  • Dynamical excitations of charge states in diamond color centers

    ORAL

    –

    Presenters

    • Tatiane Pereira Dos Santos

      University of Illinois at Urbana-Champaign

    Authors

    • Tatiane Pereira Dos Santos

      University of Illinois at Urbana-Champaign

    • Andre Schleife

      University of Illinois Urbana-Champaign, Materials Science and Engineering, University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champaign

    View abstract →

  • Recent progress in the first-principles quantum Monte Carlo: New algorithms in the all-electron calculations

    ORAL

    –

    Presenters

    • Kosuke Nakano

      SISSA (International School for Advanced Studies)

    Authors

    • Kosuke Nakano

      SISSA (International School for Advanced Studies)

    • Ryo Maezono

      School of Information Science, JAIST, JAIST (Japan Advanced Institute of Science and Technology), Japan Adv Inst of Sci and Tech

    • Sandro Sorella

      International School for Advanced Studies, SISSA (International School for Advanced Studies)

    View abstract →

  • Constrained optimization of Fermi-orbital descriptors

    ORAL

    –

    Presenters

    • Kai Trepte

      Central Michigan University, Physics, Central Michigan University

    Authors

    • Kai Trepte

      Central Michigan University, Physics, Central Michigan University

    • Juan Peralta

      Physics, Central Michigan University, Central Michigan University, Central Michigan Univ

    • Koblar Alan Jackson

      Central Michigan University, Physics, Central Michigan University, Central Michigan Univ

    View abstract →

  • New Algorithms for the Fermi-Löwdin Orbital Self-Interaction Correction Calculations.

    ORAL

    –

    Presenters

    • Kamal Sharkas

      Central MIchigan University, Central Michigan Univ

    Authors

    • Kamal Sharkas

      Central MIchigan University, Central Michigan Univ

    • Juan E Peralta

      Central MIchigan University, Central Michigan Univ

    • Koblar Jackson

      Central Michigan University, Physics, Central Michigan University, Central MIchigan University, Central Michigan Univ

    View abstract →

  • Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters

    ORAL

    –

    Presenters

    • Kamal Wagle

      Temple Univ

    Authors

    • Kamal Wagle

      Temple Univ

    • Biswajit Santra

      Temple Univ, Temple University

    • Kamal Sharkas

      Central MIchigan University, Central Michigan Univ

    • Sharmin Akter

      Computational Science Program, University of Texas at El Paso, University of Texas, El Paso

    • Rajendra R Zope

      University of Texas at El Paso, University of Texas, El Paso, Department of Physics, The University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Koblar Jackson

      Central Michigan University, Physics, Central Michigan University, Central MIchigan University, Central Michigan Univ

    • Juan E Peralta

      Central MIchigan University, Central Michigan Univ

    • John P. Perdew

      Temple Univ, Temple University, Depts. of Physics and Chemistry, Temple University

    View abstract →

  • Study of water cluster anions using the self-interaction corrected density functional approximations

    ORAL

    –

    Presenters

    • Jorge Vargas

      University of Texas at El Paso

    Authors

    • Jorge Vargas

      University of Texas at El Paso

    • Peter Ufondu

      University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Koblar Alan Jackson

      Central Michigan University, Physics, Central Michigan University, Central Michigan Univ

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    View abstract →

  • Fermi-Lowdin orbital self-interaction corrections applied to water clusters: Polarizabilities, dipole moments, and ionization energies

    ORAL

    –

    Presenters

    • Sharmin Akter

      Computational Science Program, University of Texas at El Paso, University of Texas, El Paso

    Authors

    • Sharmin Akter

      Computational Science Program, University of Texas at El Paso, University of Texas, El Paso

    • Yoh Yamamoto

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    View abstract →