Computational Materials Design - Carbon-Related Materials
FOCUS · H12 ·
Presentations
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Bubble-Wrap Carbon: An Integration of Graphene and Fullerenes
ORAL
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Presenters
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Wei Liu
- Beijing Computational Science Research Center
Authors
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Wei Liu
- Beijing Computational Science Research Center
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Jingyao Liu
- Institute of Theoretical Chemistry, Jilin University,
- Institute of Theoretical Chemistry, Jilin University
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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
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Hai-Qing Lin
- Simulation of Physical Systems Division, Beijing Computational Science Research Center
- Beijing Computational Science Research Center
- Bejing Computational Science Research Center
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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
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Xiang-Tian Kong
- University of Electronic Science and Technology of China
Authors
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Xiang-Tian Kong
- University of Electronic Science and Technology of China
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Zhiming Wang
- UESTC China
- University of Electronic Science and Technology of China
- Paul Scherrer Institute
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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
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Alexander Kerr
- Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma
Authors
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Alexander Kerr
- Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma
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Timothy Burt
- Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma
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Kieran Mullen
- Homer L. Dodge Department of Physics and Astronomy, Univ of Oklahoma
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Daniel Glatzhofer
- Department of Chemistry and Biochemistry, Univ of Oklahoma
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Matthew Houck
- Department of Chemistry and Biochemistry, Univ of Oklahoma
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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
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Suhuai Wei
- Beijing Computational Science Res Ctr
- Beijing Computational Science Research Center
Authors
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Suhuai Wei
- Beijing Computational Science Res Ctr
- Beijing Computational Science Research Center
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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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Abstract Withdrawn
ORAL · Withdrawn
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Prediction of a thermodynamically stable carbon-based clathrate
ORAL
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Presenters
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Li Zhu
- Geophysical Laboratory, Carnegie Inst of Washington
Authors
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Li Zhu
- Geophysical Laboratory, Carnegie Inst of Washington
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Hanyu Liu
- Geophysical Laboratory, Carnegie Institution for Science
- Geophysical Laboratory, Carnegie Institution of Washington
- Geophysical Laboratory, Carnegie Inst of Washington
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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
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R Hoffmann
- Cornell University
- Department of Chemistry and Chemical Biology, Cornell University
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Timothy Strobel
- Geophysical Laboratory, Carnegie Institution for Science
- Carnegie Institution of Washington
- Geophysical Laboratory, Carnegie Inst of Washington
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Van der Waals Heterojunctions Containing Penta-graphene as Channel Material: Tuning the Schottky Barrier by Electrostatic Gating or Nitrogen Doping
ORAL
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Presenters
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Qian Wang
- College of Engineering, Peking University
Authors
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Qian Wang
- College of Engineering, Peking University
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Strain induced bandgap engineering on two-dimensional SiC/GeC in-plane heterostructures
ORAL
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Presenters
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Safia Abdullah R Alharbi
- Physics and Astronomy, Uniersity of Louisville
Authors
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Safia Abdullah R Alharbi
- Physics and Astronomy, Uniersity of Louisville
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Ming Yu
- Univ of Louisville
- Physics and Astronomy, Uniersity of Louisville
- Physics and Astronomy, University of Louisville
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Online Pattern Search Tools for Organic Materials Database
ORAL
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Presenters
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Stanislav Borysov
- Nordita
- Nordita, KTH Royal Institute of Technology and Stockholm University
- NORDITA
Authors
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Stanislav Borysov
- Nordita
- Nordita, KTH Royal Institute of Technology and Stockholm University
- NORDITA
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Richard Geilhufe
- Nordita
- Nordita, KTH Royal Institute of Technology and Stockholm University
- NORDITA
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Bart Olsthoorn
- Nordita
- NORDITA
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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
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Svenja Janke
- Fritz Haber Institute of the Max Planck Society
Authors
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Svenja Janke
- Fritz Haber Institute of the Max Planck Society
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Volker Blum
- Duke University
- Department of Mechanical Engineering and Materials Science, Duke University
- Mechanical Engineering and Materials Science and Chemistry, Duke University
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Sergey Levchenko
- Fritz Haber Institute of the Max Planck Society
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Mariana Rossi
- Fritz Haber Institute of the Max Planck Society
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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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Construction of Interatomic Potential for Fe–C Systems using Evolutionary Algorithm
ORAL
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Presenters
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Tien Quang Nguyen
- Institute for NanoScience Design, Osaka University
Authors
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Tien Quang Nguyen
- Institute for NanoScience Design, Osaka University
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Kazunori Sato
- Graduate School of Engineering, Osaka University
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Yoji Shibutani
- Graduate School of Engineering, Osaka University
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Tunable Photonic Band Gaps in an Entropic Crystal
ORAL
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Presenters
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Rose Cersonsky
- Macromolecular Science and Engineering Program, University of Michigan - Ann Arbor
- Macromolecular Science and Engineering Program, University of Michigan
Authors
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Rose Cersonsky
- Macromolecular Science and Engineering Program, University of Michigan - Ann Arbor
- Macromolecular Science and Engineering Program, University of Michigan
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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
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James Antonaglia
- Department of Physics, University of Michigan
- Physics, University of Michigan
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Greg Van Anders
- Department of Physics, University of Michigan
- Univ of Michigan - Ann Arbor
- Department of Physics, Univ of Michigan - Ann Arbor
- University Michigan
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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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On the Origin of High Hydrogen Evolution Catalytic Activity and Stability in Cobalt-Embedded C<sub>2</sub>N
ORAL
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Presenters
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Min Jong Noh
- KAIST
Authors
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Min Jong Noh
- KAIST
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Hyo Seok Kim
- KAIST
- Korea Adv Inst of Sci & Tech
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Yong-Hoon Kim
- KAIST
- Korea Adv Inst of Sci & Tech
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