Focus Session: van der Waals Bonding in Advanced Materials: Applications to Advanced and Functional Materials

Presentations

• Rotational and vibrational excitations of van der Waals bonded hydrogen in nanoporous materials: calibrating first-principle calculations with experiments

  COFFEE_KLATCH · Invited

  March 21, 2011, 2:30 PM – March 21, 2011, 3:06 PM

  Authors

  • Lingzhu Kong

    • Princeton University

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• CO2 Binding in Zeolitic Imidazolate Frameworks from First Principles Calculations

  ORAL

  March 21, 2011, 3:06 PM – March 21, 2011, 3:18 PM

  Authors

  • Keith Ray

  • David Olmsted

  • Ning He

  • Yao Houndonougbo

  • Brian Laird

  • Mark Asta

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• The Importance of van der Waals Interactions in the Stability of the Phases of Mg(BH$_4$)$_2$

  ORAL

  March 21, 2011, 3:18 PM – March 21, 2011, 3:30 PM

  Authors

  • Brian Kolb

    • Wake Forest University

  • Andrzej Bil

    • University of Oxford

  • Aleksey Kolmogorov

    • University of Oxford

  • Timo Thonhauser

    • Wake Forest University

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• Influence of van der Waals contact forces on the deformation mechanics of thin flexible membranes assembled from metallic or semiconducting single-wall carbon nanotubes

  ORAL

  March 21, 2011, 3:30 PM – March 21, 2011, 3:42 PM

  Authors

  • Erik K. Hobbie

    • NDSU

  • John Harris

    • NDSU

  • Swathi Iyer

    • NDSU

  • Ji Yeon Huh

    • NIST

  • Jeffrey A. Fagan

    • NIST

  • Steven D. Hudson

    • National Institute of Standards and Technology
    • NIST

  • Christopher M. Stafford

    • Polymers Division, National Institute of Standards and Technology
    • NIST

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• Electrostatic Origin of Meandering C60 Chain Formation at ZnPc Interfaces

  ORAL

  March 21, 2011, 3:42 PM – March 21, 2011, 3:54 PM

  Authors

  • Janice Reutt-Robey

    • University of Maryland
    • University of Maryland-College Park

  • Qiang Liu

    • University of Maryland

  • Levan Tskipuri

    • University of Maryland

  • Wei Jin

    • University of Maryland

  • John Weeks

    • University of Maryland

  • Daniel Dougherty

    • NC State University

  • Steve Robey

    • NIST

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• How van der Waals interactions affect alanine-based polypeptides

  ORAL

  March 21, 2011, 3:54 PM – March 21, 2011, 4:06 PM

  Authors

  • M. Rossi

  • V. Blum

  • X. Ren

  • A. Tkatchenko

  • M. Scheffler

    • Fritz-Haber-Institut, Berlin

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• Dispersion Forces and Self-assembly of Styrene Nanowires on H-Si(100) 2$\times$1 Surface

  ORAL

  March 21, 2011, 4:06 PM – March 21, 2011, 4:18 PM

  Authors

  • Guo Li

    • Institute of Physics, CAS, P. R. China; U of Tennessee at Knoxville

  • Valentino Cooper

    • Oak Ridge National Laboratory

  • Jun-hyung Cho

    • Hanyang University, Korea

  • Shixuan Du

    • Institute of Physics, CAS, PR China
    • Institute of Physics, CAS, P. R. China

  • Hongjun Gao

    • Institute of Physics, CAS
    • Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, CAS
    • Institute of Physics, Chinese Academy of Sciences, Beijing100190, China
    • Institute of Physics, CAS, P. R. China

  • Zhenyu Zhang

    • Oak Ridge National Laboratory / U of Tennessee
    • Oak Ridge National Laboratory / University of Tennessee / University of Science and Technology of China
    • Oak Ridge National Laboratory; U of Tennessee-Knoxville; ICQD/HFNL, USTC
    • Oak Ridge National Laboratory, U of Tennessee-Knoxville, U of Science and Technology of China
    • Oak Ridge National Laboratory; U of Tennessee at Knoxville
    • Oak Ridge National Laboratory, University of Tennessee-Knoxville, University of Science and Technology of China

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• Morphological Control in the Synthesis of Silver Nanostructures: Role of Polyvinylpyrrolidone

  ORAL

  March 21, 2011, 4:18 PM – March 21, 2011, 4:30 PM

  Authors

  • Kristen Fichthorn

    • Penn State University

  • Haijun Feng

    • Penn State University

  • Rajesh Sathiyanarayanan

    • Penn State University

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• Structure and Formation of Synthetic Hemozoin: Insights from First Principles Calculations

  ORAL

  March 21, 2011, 4:30 PM – March 21, 2011, 4:42 PM

  Authors

  • Noa Marom

    • University of Texas at Austin

  • Alexandre Tkatchenko

    • Fritz-Haber-Institut, Berlin
    • Fritz-Haber-Institut der MPG

  • Sergey Kapishnikov

    • Weizmann Institute of Science, Israel

  • Leeor Kronik

    • Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel
    • Weizmann Institute of Science, Israel

  • Leslie Leiserowitz

    • Weizmann Institute of Science, Israel

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• Adsorption of methane on Zn(bdc)(ted)0.5 microporous metal-organic framework

  ORAL

  March 21, 2011, 4:42 PM – March 21, 2011, 4:54 PM

  Authors

  • Vaiva Krungleviciute

    • Southern Illinois University Carbondale

  • Sanhita Pramanik

    • Rutgers, The State University of New Jersey

  • Aldo Migone

    • Southern Illinois University Carbondale

  • Jing Li

    • Rutgers, The State University of New Jersey

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• Understanding H$_{2}$-H$_{2}$ interactions in Metal Organic Frameworks (MOFs) with unsaturated metal centers

  ORAL

  March 21, 2011, 4:54 PM – March 21, 2011, 5:06 PM

  Authors

  • Nour Nijem

    • Univeristy of Texas at Dallas

  • Jean F. Veyan

    • Univeristy of Texas at Dallas

  • Lingzhu Kong

    • Rutgers University

  • Yonggang Zhao

    • Rutgers University

  • Jing Li

    • Rutgers University

  • David Langreth

    • Rutgers University

  • Yves J. Chabal

    • Univeristy of Texas at Dallas

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• First-Principles Calculations of the Role of Dispersive Interactions in CO$_2$ binding in metal-organic frameworks

  ORAL

  March 21, 2011, 5:06 PM – March 21, 2011, 5:18 PM

  Authors

  • Roberta Poloni

    • University of California, Berkeley; Molecular Foundry, LBNL; University of California, Davis

  • Joshua Howe

    • University of California, Berkeley

  • Jeffrey B. Neaton

    • Molecular Foundry, LBNL
    • Molecular Foundry, Lawrence Berkeley National Laboratory

  • Giulia Galli

    • University of California, Davis
    • Department of Chemistry and Department of Physics, University of California at Davis, Davis, California, USA
    • Department of Chemistry \& Department of Physics, Unversity of California, Davis
    • Department of Chemistry and Department of Physics, UC Davis
    • UC Davis
    • University of California-Davis
    • Department of Chemistry and Department of Physics, University of California, Davis
    • Univeristy of California, Davis
    • University of California Davis, Davis, CA95616
    • University of California, Davis, USA

  • Berend Smit

    • University of California - Berkeley
    • University of California, Berkeley and LBNL

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