Focus Session: Computational Discovery and Design of New Materials IV

Presentations

• Design of Metamaterials for control of electromagnetic waves

  COFFEE_KLATCH · Invited

  March 5, 2014, 11:15 AM – March 5, 2014, 11:51 AM

  Authors

  • Thomas Koschny

    • Ameslab - DOE, Iowa State University

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• Computational nano-materials design of high efficiency photovoltaic materials by spinodal nano-decomposition in Chalcopyrite-type semiconductors

  ORAL

  March 5, 2014, 11:51 AM – March 5, 2014, 12:03 PM

  Authors

  • Hideo Asahina

    • Osaka University

  • Yoshimasa Tani

    • Osaka University

  • Kazunori Sato

    • Osaka University, PRESTO-JST

  • Hiroshi Katayama-Yoshida

    • Osaka University

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• Understanding Electronic, Optical and Thermal Properties of Transition Metal Chalcogenides (TMCs)

  ORAL

  March 5, 2014, 12:03 PM – March 5, 2014, 12:15 PM

  Authors

  • Can Ataca

    • Massachusetts Institute of Technology
    • Department of Materials Science and Engineering, MIT

  • Rajamani Raghunathan

    • Massachusetts Institute of Technology

  • Sefaattin Tongay

    • University of California, Berkeley

  • Junqiao Wu

    • Lawrence Berkeley National Laboratory

  • Jeffrey Grossman

    • Massachusetts Inst of Tech-MIT
    • Massachusetts Institute of Technology
    • MIT
    • Department of Materials Science and Engineering, MIT
    • Department of Materials Science and Engineering, Massachusetts Institute of Technology

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• Inverse Design of Materials by Multi-Objective Differential Evolution($IM^2ODE$)

  ORAL

  March 5, 2014, 12:15 PM – March 5, 2014, 12:27 PM

  Authors

  • Yue-Yu Zhang

    • Fudan Univ

  • Z.L. Li

    • Fudan Univ

  • Hongjun Xiang

    • Fudan Univ
    • Fudan University

  • Xingao Gong

    • Fudan Univ
    • Fudan University

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• Design of molecular sidechains to enhance thermal conductivity

  ORAL

  March 5, 2014, 12:27 PM – March 5, 2014, 12:39 PM

  Authors

  • Kieran Mullen

    • Univ of Oklahoma

  • Daniel Glatzhofer

    • Univ of Oklahoma

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• Efficiency enhancement due to self-organization of nano-structures in Cd(S, Te) solar cell material

  ORAL

  March 5, 2014, 12:39 PM – March 5, 2014, 12:51 PM

  Authors

  • Kazunori Sato

    • Osaka University, PRESTO-JST

  • Hiroshi Katayama-Yoshida

    • Osaka University

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• Is Orthorhombic C32 Actually a New Metastable Allotropic Form of Carbon?

  ORAL

  March 5, 2014, 12:51 PM – March 5, 2014, 1:03 PM

  Authors

  • Taylor Just

    • U. S. Naval Academy

  • Michael Mehl

    • Naval Research Laboratory

  • Daniel Finkenstadt

    • U.S. Naval Academy
    • U. S. Naval Academy

  • Steven Richardson

    • Howard University

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• Ab-initio study of the electronic structure and optical properties for carbon in the glitter phase

  ORAL

  March 5, 2014, 1:03 PM – March 5, 2014, 1:15 PM

  Authors

  • Juan Andres Diaz-Celaya

    • Department of Applied Physics, Cinvestav-Merida, Mexico

  • Eduardo Cifuentes-Quintal

    • Department of Applied Physics, Cinvestav-Merida, Mexico

  • Jose Luis Cabellos

    • Department of Applied Physics, Cinvestav-Merida, Mexico

  • Romeo de Coss

    • Department of Applied Physics, Cinvestav-Merida, Mexico

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• Atomic structures of magic ZnSe clusters from first principles calculation

  ORAL

  March 5, 2014, 1:15 PM – March 5, 2014, 1:27 PM

  Authors

  • Sachin P. Nanavati

    • C-DAC, Pune University, Pune 411007, India
    • C-DAC, Pune University campus, Pune 411007

  • Shailaja Mahamuni

    • University of Pune, Pune 411007, India

  • S.V. Ghaisas

    • Department of Electronic Science, University of Pune, Pune 411007
    • University of Pune, Pune 411007, India

  • Vijay Kumar

    • Dr. Vijay Kumar Foundation, 1969, Sector 4, Gurgaon 122001, India

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• Prediction of elastic and vibrational stability for Sc, Ti, Y, Zr, Tc, Ru, Hf, Re, and Os in the fcc structure

  ORAL

  March 5, 2014, 1:27 PM – March 5, 2014, 1:39 PM

  Authors

  • Romeo de Coss

    • Department of Applied Physics, Cinvestav-Merida, Mexico

  • Eduardo Cifuentes-Quintal

    • Department of Applied Physics, Cinvestav-Merida, Mexico

  • Aaron Aguayo

    • Facultad de Matematicas, Universidad Autonoma de Yucatan, Mexico

  • Gabriel Murrieta

    • Facultad de Matematicas, Universidad Autonoma de Yucatan, Mexico

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• ABSTRACT WITHDRAWN

  March 5, 2014, 1:39 PM – March 5, 2014, 1:51 PM

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• Generalized Kanzaki-Krivoglaz model of lattice relaxations in concentrated size-mismatched substitutional alloys applied to Cu-Au and Fe-Pt systems

  ORAL

  March 5, 2014, 1:51 PM – March 5, 2014, 2:03 PM

  Authors

  • Ivan Zhuravlev

    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA

  • Joonhee An

    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA

  • Kirill Belashchenko

    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA
    • Univ of Nebraska - Lincoln

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• On relationship among composition, electronic structure and reactivity of catalytically active monolayers on metal substrates

  ORAL

  March 5, 2014, 2:03 PM – March 5, 2014, 2:15 PM

  Authors

  • Sergey Stolbov

    • University of Central Florida

  • Sebastian Zuluaga

    • University of Central Florida

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