Focus Session: Nanoscale Conductance Theory III

Presentations

• First-principles studies of the electronic structure of cyclopentene on Si(100)

  ORAL

  March 17, 2006, 11:15 AM – March 17, 2006, 11:27 AM

  Authors

  • Su Ying Quek

    • Division of Engineering and Applied Sciences, Harvard University

  • Jeffrey Neaton

    • The Molecular Foundry, Materials Sciences Division, Lawrence Berkeley National Laboratory
    • The Molecular Foundry, LBNL
    • The Molecular Foundry, Material Science Devision, Lawrence Berkeley National Laboratory, Berkeley CA 94720

  • Mark Hybertsen

    • Applied Physics and Applied Math Dept, Columbia University
    • Department of Applied Physics and Center for Transport in Molecular Nanostructures
    • Columbia University
    • Applied Physics and Applied Math. Dept, Columbia University
    • Department of Applied Physics and Applied Mathematics and Columbia Center for Integrated Science and Engineering, Columbia University

  • Efthimios Kaxiras

    • Department of Physics and Division of Engineering and Applied Sciences, Harvard University
    • Harvard University

  • Steven Louie

    • Department of Physics, University of California, Berkeley \& The Molecular Foundry, Materials Sciences Division,Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • UC Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, LBNL
    • Dept of Physics, UC Berkeley, The Molecular Foundry, LBNL
    • University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Divisions, LBNL

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• Hydrodynamical approach to transport in nanostructures

  ORAL

  March 17, 2006, 11:27 AM – March 17, 2006, 11:39 AM

  Authors

  • Roberto D'Agosta

    • Department of Physics, University of California - San Diego

  • Massimiliano Di Ventra

    • Department of Physics, University of California - San Diego
    • University of California, San Diego
    • University of California - San Diego
    • UCSD

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• Source and sink approach to calculate transport properties of nanostructures

  ORAL

  March 17, 2006, 11:39 AM – March 17, 2006, 11:51 AM

  Authors

  • Kalman Varga

  • Sokrates Pantelides

    • Vanderbilt University
    • Department of Physics and Astronomy, Vanderbilt University, Nashville, TN
    • Department of Physics and Astronomy, Vanderbilt University

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• Theory of the Conductance of a Single Molecule Connected to Metallic Single Wall Carbon Nanotube Electrodes

  ORAL

  March 17, 2006, 11:51 AM – March 17, 2006, 12:03 PM

  Authors

  • Lei Zhang

  • Yiing-Rei Chen

    • Chemistry Dept., Columbia University

  • Mark Hybertsen

    • Applied Physics and Applied Math Dept, Columbia University
    • Department of Applied Physics and Center for Transport in Molecular Nanostructures
    • Columbia University
    • Applied Physics and Applied Math. Dept, Columbia University
    • Department of Applied Physics and Applied Mathematics and Columbia Center for Integrated Science and Engineering, Columbia University

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• Role of the evanescent states in the elastic quantum transport

  ORAL

  March 17, 2006, 12:03 PM – March 17, 2006, 12:15 PM

  Authors

  • Arantzazu Garcia-Lekue

    • Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

  • Lin-Wang Wang

    • Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
    • Lawrence Berkeley National Laboratory, Berkeley, California 94720
    • Lawrence Berkeley National Lab

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• First-principles investigation of electronic coupling effects between organic molecules and transition metal electrodes on conduction

  ORAL

  March 17, 2006, 12:15 PM – March 17, 2006, 12:27 PM

  Authors

  • Gunn Kim

    • N.C. State University, USA

  • M.B. Nardelli

    • North Carolina State University

  • J. Bernholc

    • North Carolina State University, Raleigh

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• Effect of doping and molecular coverage on the I-V characteristics of organic molecules on silicon surfaces

  ORAL

  March 17, 2006, 12:27 PM – March 17, 2006, 12:39 PM

  Authors

  • Wenchang Lu

    • N.C. State University

  • V. Meunier

    • ORNL

  • S. Wang

  • Q. Zhao

  • J. Bernholc

    • N.C. State University

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• Calculation of Single-Electron Transport Through Molecules

  ORAL

  March 17, 2006, 12:39 PM – March 17, 2006, 12:51 PM

  Authors

  • Jingbin Li

  • Nikita Simonian

  • Konstantin Likharev

    • Department of Physics and Astronomy, Stony Brook University

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• Contact Effects on Transport Properties through Single Molecules --- ab initio RTM/NEGF method study

  ORAL

  March 17, 2006, 12:51 PM – March 17, 2006, 1:03 PM

  Authors

  • Kenji Hirose

    • Fund.Res.Labs., NEC Corporation

  • Nobuhiko Kobayashi

    • NRI, National Institute of AIST
    • Nanotech Res Inst, AIST, JAPAN

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• All Electron Calculations of IV Characteristics For Molecular Junctions

  ORAL

  March 17, 2006, 1:03 PM – March 17, 2006, 1:15 PM

  Authors

  • John Lawson

  • Charles Bauschlicher

    • NASA Ames Research Center

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• Spin-polarized electron transport in a molecular wire: tuning the conductivity through conformational changes

  ORAL

  March 17, 2006, 1:15 PM – March 17, 2006, 1:27 PM

  Authors

  • L. Senapati

  • Steven Erwin

    • Center for Computational Materials Science, Naval Research Lab, Washington DC
    • Naval Research Laboratory

  • Ranjit Pati

    • Department of Physics, Michigan Technological University, Houghton MI

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• Ab initio modeling of molecular spintronics

  ORAL

  March 17, 2006, 1:27 PM – March 17, 2006, 1:39 PM

  Authors

  • Derek Waldron

  • Vladimir Timochevski

    • Dept. of Physics, McGill University

  • Brian Larade

    • QuantuModeling Inc.

  • Hong Guo

    • Department of Physics, McGill University

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• Theory of electron-vibration coupling in the electron transport of molecular bridges

  ORAL

  March 17, 2006, 1:39 PM – March 17, 2006, 1:51 PM

  Authors

  • Masaru Tsukada

    • Waseda University
    • Waseda University, Japan

  • Kunihiro Mitsutake

    • Canon Research Center, Canon Inc.

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• Inter-strand coupling and base pairing sequences in DNA charge transport.

  ORAL

  March 17, 2006, 1:51 PM – March 17, 2006, 2:03 PM

  Authors

  • Efta Yudiarsah

    • Ohio University

  • Sergio E. Ulloa

    • Ohio University
    • Department of Physics and Astronomy, Ohio University
    • Dept. of Physics and Astronomy, Ohio Univ.

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• Rabi-assisted transport in diatomic molecules

  ORAL

  March 17, 2006, 2:03 PM – March 17, 2006, 2:15 PM

  Authors

  • Edson Vernek

  • Enrique V. Anda

    • Pontif\'{i}cia Universidade Cat\'{o}lica do Rio de Janeiro

  • Sergio Ulloa

    • Dept. of Physics and Astronomy, Ohio University, Athens, OH 45701

  • Nancy Sandler

    • Ohio University

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