Computational Materials Design - Carbon-Related Materials

FOCUS · H12

Presentations

  • Bubble-Wrap Carbon: An Integration of Graphene and Fullerenes

    ORAL

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    Presenters

    • Wei Liu

      Beijing Computational Science Research Center

    Authors

    • Wei Liu

      Beijing Computational Science Research Center

    • Jingyao Liu

      Institute of Theoretical Chemistry, Jilin University,, Institute of Theoretical Chemistry, Jilin University

    • Jing Xia

      Physics and Astronomy, Univ of California - Irvine, Department of Physics and Astronomy, Univ of California - Irvine, University of California Irvine, Department of Physics, University of California, Irvine, Department of Physics and Astronomy, University of California, Irvine

    • Hai-Qing Lin

      Simulation of Physical Systems Division, Beijing Computational Science Research Center, Beijing Computational Science Research Center, Bejing Computational Science Research Center

    • Maosheng Miao

      Chemistry and Biochemistry, California State University Northridge, California State University, Northridge, Cal State Univ - Northridge, Chemistry and Biochemistry, California State University, Northridge, Department of Chemistry and Biochemistry, California State University, Northridge

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  • Design of in-plane graphene metasurfaces for generating strong mid-infrared circular dichroism

    ORAL

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    Presenters

    • Xiang-Tian Kong

      University of Electronic Science and Technology of China

    Authors

    • Xiang-Tian Kong

      University of Electronic Science and Technology of China

    • Zhiming Wang

      UESTC China, University of Electronic Science and Technology of China, Paul Scherrer Institute

    • Alexander Govorov

      Ohio Univ, Department of Physics and Astronomy, Ohio University, Ohio University, Physics and Astronomy, Ohio University

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  • Theoretical and Experimental Studies of Thermal Conductivity in Functionalized Carbon Nanotubes Optimized via Genetic Algorithms

    ORAL

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    Presenters

    • Alexander Kerr

      Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma

    Authors

    • Alexander Kerr

      Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma

    • Timothy Burt

      Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma

    • Kieran Mullen

      Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma

    • Daniel Glatzhofer

      Department of Chemistry and Biochemistry, Univ of Oklahoma

    • Matthew Houck

      Department of Chemistry and Biochemistry, Univ of Oklahoma

    • Paul Huang

      School of Chemical, Biological and Materials Engineering, Univ of Oklahoma

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  • Inhomogeneous Strain-induced Spin-splitting in Bent Zigzag Graphene Nanoribbons

    ORAL · Invited

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    Presenters

    • Suhuai Wei

      Beijing Computational Science Res Ctr, Beijing Computational Science Research Center

    Authors

    • Suhuai Wei

      Beijing Computational Science Res Ctr, Beijing Computational Science Research Center

    • Dong-Bo Zhang

      Condensed Matter, Beijing Computational Science Research Center, Condensed Matter , Beijing Computational Science Research Center, Beijing Computational Science Research Center

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  • Prediction of a thermodynamically stable carbon-based clathrate

    ORAL

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    Presenters

    • Li Zhu

      Geophysical Laboratory, Carnegie Inst of Washington

    Authors

    • Li Zhu

      Geophysical Laboratory, Carnegie Inst of Washington

    • Hanyu Liu

      Geophysical Laboratory, Carnegie Institution for Science, Geophysical Laboratory, Carnegie Institution of Washington, Geophysical Laboratory, Carnegie Inst of Washington

    • Ronald Cohen

      Carnegie Institution of Washington, Extreme Materials Initiative, Geophysical Lab, Carnegie Institution for Science; LMU Munich, Geophysical Laboratory, Carnegie Inst of Washington, Carnegie Institution for Science; LMU Munich

    • R Hoffmann

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

    • Timothy Strobel

      Geophysical Laboratory, Carnegie Institution for Science, Carnegie Institution of Washington, Geophysical Laboratory, Carnegie Inst of Washington

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  • Online Pattern Search Tools for Organic Materials Database

    ORAL

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    Presenters

    • Stanislav Borysov

      Nordita, Nordita, KTH Royal Institute of Technology and Stockholm University, NORDITA

    Authors

    • Stanislav Borysov

      Nordita, Nordita, KTH Royal Institute of Technology and Stockholm University, NORDITA

    • Richard Geilhufe

      Nordita, Nordita, KTH Royal Institute of Technology and Stockholm University, NORDITA

    • Bart Olsthoorn

      Nordita, NORDITA

    • Alexander Balatsky

      NORDITA, Institute for Materials Science, Los Alamos National Laboratory, Nordita, Los Alamos Natl Lab, Nordita, KTH Royal Institute of Technology and Stockholm University; Institute for Materials Science, Los Alamos National Laboratory; Department of Physics, University of Conn, Instittute for Materials Science, Los Alamos National Laboratory, Institute for Materials Science, Los Alamos National Laboratory/Nordita/University of Connecticut

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  • Structure and Property Prediction of Hybrid Inorganic-Organic Systems: Tetracene and Pentacene at H:Si(111)

    ORAL

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    Presenters

    • Svenja Janke

      Fritz Haber Institute of the Max Planck Society

    Authors

    • Svenja Janke

      Fritz Haber Institute of the Max Planck Society

    • Volker Blum

      Duke University, Department of Mechanical Engineering and Materials Science, Duke University, Mechanical Engineering and Materials Science and Chemistry, Duke University

    • Sergey Levchenko

      Fritz Haber Institute of the Max Planck Society

    • Mariana Rossi

      Fritz Haber Institute of the Max Planck Society

    • Matthias Scheffler

      Fritz Haber Institute of the Max Planck Society, Theory, Fritz Haber Institute of the Max Planck Society, Fritz-Haber-Institut der Max-Planck-Gesselschaft, Theory , Fritz-Haber Institute, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem, Germany, Theory Department, Fritz Haber Institute

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  • Tunable Photonic Band Gaps in an Entropic Crystal

    ORAL

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    Presenters

    • Rose Cersonsky

      Macromolecular Science and Engineering Program, University of Michigan - Ann Arbor, Macromolecular Science and Engineering Program, University of Michigan

    Authors

    • Rose Cersonsky

      Macromolecular Science and Engineering Program, University of Michigan - Ann Arbor, Macromolecular Science and Engineering Program, University of Michigan

    • Julia Dshemuchadse

      Department of Chemical Engineering, University of Michigan - Ann Arbor, Department of Chemical Engineering, University of Michigan, Department of Chemical Engineering, Univ of Michigan - Ann Arbor, Chemical Engineering, University of Michigan

    • James Antonaglia

      Department of Physics, University of Michigan, Physics, University of Michigan

    • Greg Van Anders

      Department of Physics, University of Michigan, Univ of Michigan - Ann Arbor, Department of Physics, Univ of Michigan - Ann Arbor, University Michigan

    • Sharon Glotzer

      Chemical Engineering, Univ of Michigan - Ann Arbor, Univ of Michigan - Ann Arbor, Department of Chemical Engineering, University of Michigan - Ann Arbor, Department of Chemical Engineering, University of Michigan, Chemical Engineering, University of Michigan, Department of Chemical Engineering, Univ of Michigan - Ann Arbor

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