Van der Waals Bonding in Advanced Materials III

Presentations

• Long-Range van der Waals Correction to a Semilocal Density Functional: The Tail Need Not Wag the Dog

  COFFEE_KLATCH · Invited

  March 15, 2017, 2:30 PM – March 15, 2017, 3:06 PM

  Authors

  • John Perdew

    • Temple University

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• Improved metallic surface properties using a new van der Waals density functional

  ORAL

  March 15, 2017, 3:06 PM – March 15, 2017, 3:18 PM

  Authors

  • Abhirup Patra

    • Department of Physics, Temple University,Philadelphia, Pennsylvania

  • Jianwei Sun

    • Department of Physics, Temple University,Philadelphia, Pennsylvania

  • Jefferson Bates

    • Department of Physics, Temple University,Philadelphia, Pennsylvania

  • John P. Perdew

    • Department of Physics, Temple University,Philadelphia, Pennsylvania

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• A hybrid version of the SCAN functional including long-range dispersion interactions

  ORAL

  March 15, 2017, 3:18 PM – March 15, 2017, 3:30 PM

  Authors

  • Hsin-Yu Ko

    • Princeton University

  • Marcos F. Calegari Andrade

    • Princeton University

  • Biswajit Santra

    • Princeton University
    • Department of Chemistry, Princeton University

  • Annabella Selloni

    • Princeton University

  • Roberto Car

    • Princeton University
    • Dept. of Chemistry and Physics, Princeton University
    • Department of Chemistry, Princeton University

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• Extending the applicability of Many-Body Dispersion (MBD) to large-scale systems: DFTB+MBD

  ORAL

  March 15, 2017, 3:30 PM – March 15, 2017, 3:42 PM

  Authors

  • Martin St\"{o}hr

    • Physics and Materials Science Research Unit, University of Luxembourg, Luxembourg

  • Reinhard J. Maurer

    • Department of Chemistry, Yale University, New Haven, CT 06520, USA

  • Alexandre Tkatchenko

    • Physics and Materials Science Research Unit, University of Luxembourg, Luxembourg
    • University of Luxembourg

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• (De)stabilizing dispersion interactions via external electric charges

  ORAL

  March 15, 2017, 3:42 PM – March 15, 2017, 3:54 PM

  Authors

  • Andrii Kleshchonok

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

  • Alexandre Tkatchenko

    • Fritz Haber Institute
    • University of Luxembourg
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany, Physics and Materials Science Research Unit, University of Luxembourg, Luxembourg

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• Unifying microscopic and continuum treatments of van der Waals and Casimir interactions

  ORAL

  March 15, 2017, 3:54 PM – March 15, 2017, 4:06 PM

  Authors

  • Prashanth Venkataram

    • Princeton Univ

  • Jan Hermann

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

  • Alexandre Tkatchenko

    • Fritz Haber Institute
    • University of Luxembourg
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany, Physics and Materials Science Research Unit, University of Luxembourg, Luxembourg

  • Alejandro Rodriguez

    • Princeton Univ

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• Unified many-body approach to van der Waals interactions based on semi-local polarizability functional

  ORAL

  March 15, 2017, 4:06 PM – March 15, 2017, 4:18 PM

  Authors

  • Jan Hermann

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

  • Matthias Scheffler

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

  • Alexandre Tkatchenko

    • University of Luxembourg

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• vdW-DF $+U$ description of solid oxygen at low pressure

  ORAL

  March 15, 2017, 4:18 PM – March 15, 2017, 4:30 PM

  Authors

  • Shusuke Kasamatsu

    • The Institute for Solid State Physics, the University of Tokyo

  • Takeo Kato

    • The Institute for Solid State Physics, the University of Tokyo

  • Osamu Sugino

    • The Institute for Solid State Physics, University of Tokyo
    • The Institute for Solid State Physics, the University of Tokyo

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• The Dipole Polarizability of a Condensed-Phase Water Molecule

  ORAL

  March 15, 2017, 4:30 PM – March 15, 2017, 4:42 PM

  Authors

  • Ka Un Lao

    • Cornell University

  • Jaclyn Lunger

    • Cornell University

  • Junteng Jia

    • Cornell University

  • Robert DiStasio Jr.

    • Cornell Univ
    • Cornell University
    • Department of Chemistry and Chemical Biology, Cornell University

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• Parameterization of Nonbonded Interactions between Molybdenum Disul?de and Water

  ORAL

  March 15, 2017, 4:42 PM – March 15, 2017, 4:54 PM

  Authors

  • Mohammad Heiranian

    • University of Ilinois at Urbana-Champaign

  • Yanbin Wu

    • University of Ilinois at Urbana-Champaign

  • Narayana Aluru

    • University of Ilinois at Urbana-Champaign

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• Plasmons in quasi-two-dimensional metals

  ORAL

  March 15, 2017, 4:54 PM – March 15, 2017, 5:06 PM

  Authors

  • Felipe H. da Jornada

    • UC Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • Dept. of Physics, University of California Berkeley; Materials Sciences Division, Lawrence Berkeley National Lab, CA, USA

  • Lede Xian

    • Univ. of the Basque Country

  • H. Sener Sen

    • Univ. of the Basque Country

  • Angel Rubio

    • Univ. of the Basque Country and Max Planck Institute for the Structure and Dynamics of Matter

  • Steven G. Louie

    • Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
    • UC Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • Physics Department, UC Berkeley and Lawrence Berkeley National Lab
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Univ of California - Berkeley and Lawrence Berkeley National Lab

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• Topological phase transition from trigonal warping in van der Waals multilayers

  ORAL

  March 15, 2017, 5:06 PM – March 15, 2017, 5:18 PM

  Authors

  • Junjie Zeng

    • University of Science and Technolgy of China

  • Yafei Ren

    • University of Science and Technolgy of China

  • Zhenhua Qiao

    • University of Science and Technology of China
    • Univ. of Sci. and Tech. of China
    • ICQD and Department of Physics, University of Science and Technology of China, China
    • University of Science and Technolgy of China
    • Univ of Sci \& Tech of China

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