Focus Session: van der Waals Bonding in Advanced Materials: Advances in Theory

Presentations

• Short-range Cut-Off of the Summed-Up van der Waals Series

  ORAL

  March 3, 2015, 8:00 AM – March 3, 2015, 8:12 AM

  Authors

  • Abhirup Patra

    • Temple University

  • John P. Perdew

    • Temple Univ
    • Temple University

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• A van der Waals density functional built upon the electron-gas foundation

  ORAL

  March 3, 2015, 8:12 AM – March 3, 2015, 8:24 AM

  Authors

  • Per Hyldgaard

    • Chalmers Univ. of Technology, Dept. of Microtechnology and Nanoscience --MC2

  • Kristian Berland

    • Univ. of Oslo, Dept. of Physics, SMN

  • Elsebeth Schr\"oder

    • Chalmers Univ. of Technology, Dept. of Microtechnology and Nanoscience --MC2

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• A Local Representation Of The Dielectric Response Function

  ORAL

  March 3, 2015, 8:24 AM – March 3, 2015, 8:36 AM

  Authors

  • Deyu Lu

    • Center for Functional Nanomaterials, Brookhaven National Laboratory
    • Brookhaven National Laboratory

  • Xiaochuan Ge

    • Brookhaven National Laboratory

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• An Efficient Coupled Dipole Method: TCDM

  ORAL

  March 3, 2015, 8:36 AM – March 3, 2015, 8:48 AM

  Authors

  • Hye-Young Kim

    • Department of Chemistry and Physics, Southeastern Louisiana University
    • Southeastern Louisiana Univ

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• Electronic Properties of Polarizable Systems with Self-Consistent Interatomic van der Waals Density Functional

  ORAL

  March 3, 2015, 8:48 AM – March 3, 2015, 9:00 AM

  Authors

  • Nicola Ferri

    • Fritz-Haber Institut der Max Planck Gessellschaft, Berlin
    • Fritz Haber Institute der MPG

  • Robert A. DiStasio Jr.

    • Princeton University

  • Alberto Ambrosetti

    • Fritz Haber Institute der MPG

  • Roberto Car

    • Princeton University

  • Matthias Scheffler

    • Fritz Haber Institute der MPG

  • Alexandre Tkatchenko

    • Fritz Haber Institute der MPG

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• Many-body dispersion meets non-local density functionals: A unified approach for van der Waals correlations

  ORAL

  March 3, 2015, 9:00 AM – March 3, 2015, 9:12 AM

  Authors

  • Jan Hermann

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

  • Matthias Scheffler

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

  • Alexandre Tkatchenko

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

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• Repulsive van der Waals forces and other delights from the Lifshitz approach

  COFFEE_KLATCH · Invited

  March 3, 2015, 9:12 AM – March 3, 2015, 9:48 AM

  Authors

  • Adrian Parsegian

    • Univ. Massachusetts, Amherst

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• Farsightedness of the Correlation Energy in Polarizable Non-Metallic Nanostructures

  ORAL

  March 3, 2015, 9:48 AM – March 3, 2015, 10:00 AM

  Authors

  • Alberto Ambrosetti

    • Universit\`a degli Studi di Padova

  • Nicola Ferri

    • Fritz-Haber Institut der Max Planck Gessellschaft, Berlin
    • Fritz Haber Institute der MPG

  • Robert DiStasio,Jr.

    • Princeton University, Princeton

  • Alexandre Tkatchenko

    • Dr.
    • Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber Institute of the Max-Planck Society
    • Fritz-Haber Institut der Max Planck Gessellschaft, Berlin

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• Van der Waals Interactions Between Subsystems with Overlapping Electron Density

  POSTER

  March 3, 2015, 10:00 AM – March 3, 2015, 10:12 AM

  Authors

  • Michele Pavanello

    • Rutgers Univ - Newark

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• Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids - the renormalized ALDA and other electron gas kernels

  ORAL

  March 3, 2015, 10:12 AM – March 3, 2015, 10:24 AM

  Authors

  • Christopher Patrick

    • Department of Physics, Technical University of Denmark

  • Kristian Thygesen

    • Center for Atomic-scale Materials Design (CAMD), Technical University of Denmark
    • Department of Physics, Technical University of Denmark

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• The role of delocalization error in non-covalent interactions from dispersion-corrected density-functional theory

  ORAL

  March 3, 2015, 10:24 AM – March 3, 2015, 10:36 AM

  Authors

  • Alberto Otero de la Roza

    • National Institute for Nanotechnology
    • National Institute for Nanotechnology-NRC

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• Ultra-long-ranged dispersion interaction between degenerate molecules

  ORAL

  March 3, 2015, 10:36 AM – March 3, 2015, 10:48 AM

  Authors

  • John Dobson

    • Griffith University
    • Griffith Univ

  • Andreas Savin

    • CNRS, UPMC Sorbonne Universities

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• Optimization of a van der Waals Density Functional for water

  ORAL

  March 3, 2015, 10:48 AM – March 3, 2015, 11:00 AM

  Authors

  • Michelle Fritz

    • Universidad Autonoma de Madrid

  • Marivi Fernandez-Serra

    • Stony Brook University
    • Department of Physics and Astronomy, Stony Brook University
    • State Univ of NY- Stony Brook
    • Physics & Astronomy department, Stony Brook University. Stony Brook, NY

  • Jose M. Soler

    • Universidad Autonoma de Madrid

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