Computational Discovery and Design of Novel Materials XII

Presentations

• Structural modeling of amorphous graphene: a differential-mutation approach

  ORAL

  March 17, 2017, 8:00 AM – March 17, 2017, 8:12 AM

  Authors

  • Katja Biswas

    • University of North Georgia

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• Graphene under magnetic and generalized strain SU(2) gauge fields

  ORAL

  March 17, 2017, 8:12 AM – March 17, 2017, 8:24 AM

  Authors

  • Enrique Munoz

    • Pontificia Universidad Catolica de Chile
    • Pontif Univ Catolica de Chile

  • Rodrigo Soto Garrido

    • Universidad San Sebastian

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• Structure of carbon-nanotube-encapsulated nanowires from first principles calculations

  ORAL

  March 17, 2017, 8:24 AM – March 17, 2017, 8:36 AM

  Authors

  • Jamie Wynn

    • University of Cambridge

  • Paulo Medeiros

    • University of Cambridge

  • Jeremy Sloan

    • University of Warwick

  • David Quigley

    • University of Warwick

  • Andrew Morris

    • University of Cambridge

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• Multiscale modeling of polycrystalline graphene

  ORAL

  March 17, 2017, 8:36 AM – March 17, 2017, 8:48 AM

  Authors

  • Petri Hirvonen

    • Aalto University

  • Mikko Ervasti

    • Aalto University

  • Zheyong Fan

    • Aalto University

  • Morteza Jalalvand

    • University of Tehran

  • Khatereh Azizi

    • Aalto University; University of Tehran

  • Matthew Seymour

    • McGill University

  • S. Mehdi Vaez Allaei

    • University of Tehran

  • Nikolas Provatas

    • McGill University

  • Ari Harju

    • Aalto University

  • Ken Elder

    • Oakland University

  • Tapio Ala-Nissila

    • Aalto University; Brown University

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• Strain superlattices in graphene

  ORAL

  March 17, 2017, 8:48 AM – March 17, 2017, 9:00 AM

  Authors

  • Yingjie Zhang

    • Univ of Illinois - Urbana

  • Youngseok Kim

    • Univ of Illinois - Urbana

  • Joseph Lyding

    • Univ of Illinois - Urbana

  • Matthew Gilbert

    • Univ of Illinois - Urbana

  • Nadya Mason

    • Univ of Illinois - Urbana
    • University of Illinois at Urbana-Champaign

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• Generating and Visualizing Strain and Pseudomagnetic Fields in graphene.

  ORAL

  March 17, 2017, 9:00 AM – March 17, 2017, 9:12 AM

  Authors

  • Jinhai Mao

    • Department of Physics and Astronomy, Rutgers University,Piscataway, New Jersey, 08854

  • Yuhang Jiang

    • Department of Physics and Astronomy, Rutgers University,Piscataway, New Jersey, 08854

  • Xinyuan Lai

    • Department of Physics and Astronomy, Rutgers University,Piscataway, New Jersey, 08854

  • Guohong Li

    • Department of Physics and Astronomy, Rutgers University,Piscataway, New Jersey, 08854

  • Eva Y. Andrei

    • Department of Physics and Astronomy, Rutgers University,Piscataway, New Jersey, 08854

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• Landau levels and scattering resonances due to strained folds in graphene

  ORAL

  March 17, 2017, 9:12 AM – March 17, 2017, 9:24 AM

  Authors

  • Nancy Sandler

    • Ohio University
    • Ohio Univ

  • Dawei Zhai

    • Ohio University

  • Yuhang Jiang

    • Rutgers University

  • Daiara Faria

    • Universidade do Estado de Rio de Janeiro

  • Eva Andrei

    • Rutgers University

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• The 2D Frenkel-Kontorova model of graphene on hexagonal boron nitride

  ORAL

  March 17, 2017, 9:24 AM – March 17, 2017, 9:36 AM

  Authors

  • Jeil Jung

    • University of Seoul
    • Department of Physics, University of Seoul, Seoul 02504, Korea

  • Ashley DaSilva

    • Department of Physics, University of Texas at Austin, Texas 78712, USA
    • Univ of Texas, Austin

  • Shaffique Adam

    • National University of Singapore and Yale-NUS College
    • Department of Physics, National University of Singapore, and Yale-NUS College, 6 College Avenue East, 138614, Singapore
    • National University of Singapore
    • Yale-NUS College
    • The Yale-NUS College, 16 College Avenue West, Singapore 138527

  • A. H. MacDonald

    • The University of Texas at Austin
    • Department of Physics, University of Texas at Austin, Texas 78712, USA
    • UT Austin
    • Univ of Texas, Austin
    • Department of Physics, University of Texas at Austin
    • Department of Physics, University of Texas at Austin, TX 78712, USA

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• Quantum Simulations of One-Dimensional Nanostructures under Arbitrary Deformations

  ORAL

  March 17, 2017, 9:36 AM – March 17, 2017, 9:48 AM

  Authors

  • Pekka Koskinen

    • University of Jyvaskyla

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• Ab Initio Investigation of Frictional Properties of Graphene on SiC Surfaces

  ORAL

  March 17, 2017, 9:48 AM – March 17, 2017, 10:00 AM

  Authors

  • Ceren Sayin

    • Bilkent Univ

  • Oguz Gulseren

    • Bilkent Univ
    • Bilkent University
    • Department of Physics, Bilkent University, Bilkent, Ankara 06800, Turkey

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• Direct experimental evidence of $\pi $ magnetism of a single atomic vacancy in graphene

  ORAL

  March 17, 2017, 10:00 AM – March 17, 2017, 10:12 AM

  Authors

  • Yu Zhang

    • Beijing Normal University

  • Siyu Li

    • Beijing Normal University

  • Huaqing Huang

    • Tsinghua University

  • Wentian Li

    • Beijing Normal University

  • Jiabin Qiao

    • Beijing Normal University

  • Wenxiao Wang

    • Beijing Normal University

  • Longjing Yin

    • Beijing Normal University

  • Keke Bai

    • Beijing Normal University

  • Whenhui Duan

    • Tsinghua Univ
    • Tsinghua University
    • State Key Laboratory of Low Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084, People's Republic of China
    • Department of Physics, Tsinghua University

  • Lin He

    • Beijing Normal University

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• Fully \textit{ab initio} calculation of the resonant one-phonon Raman intensity of graphene

  ORAL

  March 17, 2017, 10:12 AM – March 17, 2017, 10:24 AM

  Authors

  • Sven Reichardt

    • Physics and Materials Science Research Unit, University of Luxembourg; JARA-FIT and 2nd Institute of Physics, RWTH Aachen University
    • University of Luxembourg

  • Ludger Wirtz

    • Physics and Materials Science Research Unit, University of Luxembourg

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• $\pi$-orbital theory for fractal models of bond-diluted graphene

  ORAL

  March 17, 2017, 10:24 AM – March 17, 2017, 10:36 AM

  Authors

  • William Schwalm

    • Univ of North Dakota
    • University of North Dakota

  • Albert Schmitz

    • Univ Colorado, Boulder

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• Tuning the Hofstadter butterfly in graphene with interlayer separation

  ORAL

  March 17, 2017, 10:36 AM – March 17, 2017, 10:48 AM

  Authors

  • Matthew Yankowitz

    • Columbia University

  • K. Watanabe

    • National Institute for Materials Science

  • T. Taniguchi

    • National Institute for Materials Science

  • David Graf

    • National High Magnetic Field Laboratory

  • Cory Dean

    • Columbia University

  View abstract →