Van der Waals Bonding in Advanced Materials II

Presentations

• Dabbling in the rich color palette of van der Waals bonded layered materials

  COFFEE_KLATCH · Invited

  March 15, 2017, 11:15 AM – March 15, 2017, 11:51 AM

  Authors

  • Alex Zettl

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

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• Strong van der Waals attractive forces in nanotechnology.

  ORAL

  March 15, 2017, 11:51 AM – March 15, 2017, 12:03 PM

  Authors

  • Jeffrey Reimers

    • Shanghai University / University of Technology Sydney

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• Modeling of Materials for Energy Storage: A Challenge for Density Functional Theory

  ORAL

  March 15, 2017, 12:03 PM – March 15, 2017, 12:15 PM

  Authors

  • Merzuk Kaltak

    • Stony Brook University
    • Department of Physics and Astronomy, Stony Brook University, NY

  • Marivi Fernandez-Serra

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

  • Mark Hybertsen

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

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• Interplay of H$_{2}$O and K$^+$ inside the channels of Mn$_{8}$O$_{16}$

  ORAL

  March 15, 2017, 12:15 PM – March 15, 2017, 12:27 PM

  Authors

  • Vidushi Sharma

    • Stony Brook University

  • Merzuk Kaltak

    • Stony Brook University
    • Department of Physics and Astronomy, Stony Brook University, NY

  • Mark Hybertsen

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

  • Marivi Fernandez-Serra

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

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• Thermo-mechanical behavior of nanoparticle membranes.

  ORAL

  March 15, 2017, 12:27 PM – March 15, 2017, 12:39 PM

  Authors

  • Henry Chan

    • Argonne National Laboratory

  • Badri Narayanan

    • Argonne National Laboratory

  • Yifan Wang

    • University of Chicago

  • Xiao-Min Lin

    • Argonne National Laboratory

  • Heinrich Jaeger

    • University of Chicago

  • Sankaranarayanan Subramanian

    • Argonne National Laboratory

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• Biogenic twinned crystals exhibiting unique morphological symmetry

  ORAL

  March 15, 2017, 12:39 PM – March 15, 2017, 12:51 PM

  Authors

  • Anna Hirsch

    • Weizmann Institute of Science, Rehovoth

  • Dvir Gur

    • Weizmann Institute of Science, Rehovoth

  • Ben Palmer

    • Weizmann Institute of Science, Rehovoth

  • Lia Addadi

    • Weizmann Institute of Science, Rehovoth

  • Leslie Leiserowitz

    • Weizmann Institute of Science, Rehovoth

  • Leeor Kronik

    • Weizmann Institute of Science, Rehovoth
    • Weizmann Institute of Science
    • Weizmann Institute of Science, Israel

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• Origin and structure of polar domains in doped molecular crystals

  ORAL

  March 15, 2017, 12:51 PM – March 15, 2017, 1:03 PM

  Authors

  • Ido Azuri

    • Weizmann Institute of Science

  • Elena Meirzadeh

    • Weizmann Institute of Science

  • Yubo Qi

    • University of Pennsylvania

  • David Ehre

    • Weizmann Institute of Science

  • Andrew Rappe

    • University of Pennsylvania

  • Meir Lahav

    • Weizmann Institute of Science

  • Leeor Kronik

    • Weizmann Institute of Science

  • Igor Lubomirsky

    • Weizmann Institute of Science

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• Anharmonic and Quantum Fluctuations in Molecular Crystals from Ab Initio Simulations

  ORAL

  March 15, 2017, 1:03 PM – March 15, 2017, 1:15 PM

  Authors

  • Mariana Rossi

    • Fritz Haber Institut der Max Planck Gesellschaft

  • Piero Gasparotto

    • \'Ecole Polytechnique F\'ed\'erale de Lausanne

  • Michele Ceriotti

    • \'Ecole Polytechnique F\'ed\'erale de Lausanne

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• First-Principles Molecular Crystal Structure Prediction: The Importance of Collective van der Waals Interactions and Free Energies

  ORAL

  March 15, 2017, 1:15 PM – March 15, 2017, 1:27 PM

  Authors

  • Johannes Hoja

    • Physics and Materials Science Research Unit, University of Luxembourg

  • Hsin-Yu Ko

    • Department of Chemistry, Princeton University

  • Roberto Car

    • Department of Chemistry, Princeton University

  • Robert A. DiStasio Jr.

    • Department of Chemistry and Chemical Biology, Cornell University

  • Alexandre Tkatchenko

    • Physics and Materials Science Research Unit, University of Luxembourg

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• Genarris: Parallelized Configuration Space Screening of Molecular Crystals Aided by a Harris Approximation

  ORAL

  March 15, 2017, 1:27 PM – March 15, 2017, 1:39 PM

  Authors

  • Xiayue Li

    • Tulane University

  • Farren Curtis

    • Carnegie Mellon University

  • Christoph Schober

    • Technical University of Munich

  • Alvaro Vazquez Mayagoitia

    • Argonne National Laboratory
    • Argonne Leadership Computing Facility

  • Harald Oberhofer

    • Technical University of Munich

  • Noa Marom

    • Carnegie Mellon University

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• Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[c ]-isothiazole

  ORAL

  March 15, 2017, 1:39 PM – March 15, 2017, 1:51 PM

  Authors

  • Farren Curtis

    • Carnegie Mellon University

  • Xiaopeng Wang

    • Carnegie Mellon University

  • Noa Marom

    • Carnegie Mellon University

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