Focus Session: Computational Nanoscience I: Electronic and Optical Properties of Nanoclusters

Presentations

• Optical Properties of Free and Embedded Small Nanoparticles

  COFFEE_KLATCH · Invited

  March 10, 2008, 10:15 AM – March 10, 2008, 10:51 AM

  Authors

  • Juan Idrobo

    • Vanderbilt University and Oak Ridge National Laboratory

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• Ab initio calculation of temperature effects in the optical response of open-shell sodium clusters

  ORAL

  March 10, 2008, 10:51 AM – March 10, 2008, 11:03 AM

  Authors

  • Marie Lopez del Puerto

    • University of Minnesota

  • Murilo Tiago

    • University of Texas at Austin

  • James R. Chelikowsky

    • University of Texas
    • University of Texas at Austin

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• Bethe-Salpeter and Quantum Monte Carlo Calculations of the Optical Properties of Carbon Fullerenes

  ORAL

  March 10, 2008, 11:03 AM – March 10, 2008, 11:15 AM

  Authors

  • P.R.C. Kent

    • Oak Ridge National Laboratory

  • M.L. Tiago

    • Oak Ridge National Laboratory
    • Oak Ridge Natl. Laboratory

  • F.A. Reboredo

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  • Randolph Q. Hood

    • Lawrence Livermore National Laboratory

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• Efficient first principles quasiparticle states using optimal Brillouin zone sampling

  ORAL

  March 10, 2008, 11:15 AM – March 10, 2008, 11:27 AM

  Authors

  • David Prendergast

    • The Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley CA-94720
    • Molecular Foundary, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley Laboratory
    • Molecular Foundry, LBNL and Physics Dept, UC Berkeley
    • Molecular Foundry, LBNL

  • Steven G. Louie

    • Department of Physics, UC Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division of Lawrence Berkeley National Laboratory
    • UC Berkeley, and LBL
    • UC Berkeley
    • Dept. of Physics, UC Berkeley; MSD, LBNL
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Molecular Foundry, LBNL and Physics Dept, UC Berkeley
    • UC Berkeley and LBNL
    • University of California at Berkeley and Lawrence Berkeley National Laboratory

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• First Principles Absorption Spectra of Intermediate Size Ag$_n$ ($n=10-20$) Clusters

  ORAL

  March 10, 2008, 11:27 AM – March 10, 2008, 11:39 AM

  Authors

  • Kopinjol Baishya

  • Juan Carlos Idrobo

  • Serdar Ogut

    • University of Illinois at Chicago

  • Mingli Yang

  • Koblar A. Jackson

    • Central Michigan University

  • Julius Jellinek

    • Chemical Sciences and Engineering Division, Argonne National Laboratory

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• Trends in the Electronic Structure and Vibrational Dynamics of 34 atom Ag-Cu Nanoalloy (Ag$_{n}$-Cu$_{34-n}$)

  ORAL

  March 10, 2008, 11:39 AM – March 10, 2008, 11:51 AM

  Authors

  • H. Yildirim

    • Department of Physics, University of Central Florida

  • A. Kara

    • Department of Physics, University of Central Florida, Orlando FL32816
    • Department of Physics, University of Central Florida

  • T.S. Rahman

    • Department of Physics, University of Central Florida
    • University of Central Florida

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• Static dipole polarizabilities of icosahedral fullerenes from C$_{60}$ to C$_{2160}$ by all-electron density-functional theory

  ORAL

  March 10, 2008, 11:51 AM – March 10, 2008, 12:03 PM

  Authors

  • Rajendra Zope

    • Unviersity of Texas at El Paso
    • University of Texas at El Paso

  • Tunna Baruah

    • University of Texas at El Paso

  • Mark Pederson

    • Naval Research Laboratory
    • Naval Research Lab, Washington DC, USA

  • Brett Dunlap

    • Naval Research Laboratory

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• Heusler clusters

  ORAL

  March 10, 2008, 12:03 PM – March 10, 2008, 12:15 PM

  Authors

  • Alexey Zayak

    • University of Texas at Austin

  • Scott Beckman

    • Rutgers University

  • M.L. Tiago

    • Oak Ridge National Laboratory
    • Oak Ridge Natl. Laboratory

  • Peter Entel

    • University of Duisburg-Essen

  • James R. Chelikowsky

    • University of Texas
    • University of Texas at Austin

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• Tangential Ligand-Induced Strain in Icosahedral Au13

  ORAL

  March 10, 2008, 12:15 PM – March 10, 2008, 12:27 PM

  Authors

  • Leeor Kronik

    • Weizmann Institute of Science

  • Olga Guliamov

    • Weizmann Institute of Science

  • Anatoly Frenkel

    • Yeshiva University

  • Laurent Menard

    • University of Illinois

  • Ralph Nuzzo

    • Dept. of Chemistry, U. of Illinois at Urbana-Champaign
    • University of Illinois

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• Structural Properties and Phase Transitions in Small Gold Nanoclusters

  ORAL

  March 10, 2008, 12:27 PM – March 10, 2008, 12:39 PM

  Authors

  • Yanting Wang

    • Idaho National Laboratory

  • Sergey Rashkeev

    • Idaho National Laboratory

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• The peculiar distribution pattern of Pd on the PdAu bimetallic nanoclusters

  ORAL

  March 10, 2008, 12:39 PM – March 10, 2008, 12:51 PM

  Authors

  • Xingao Gong

    • Fudan University

  • Dingwang Yuan

    • University of California, Irvine

  • Ruqian Wu

    • University of California, Irvine

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• Computational model for the production of monodisperse silver spheres in solution

  ORAL

  March 10, 2008, 12:51 PM – March 10, 2008, 1:03 PM

  Authors

  • Daniel Robb

    • Clarkson University

  • Ionel Halaciuga

    • Clarkson University

  • Vladimir Privman

    • Department of Physics, and Center for Advanced Materials Processing, Clarkson University, Potsdam, NY 13699, USA
    • Department of Physics, Clarkson University, Potsdam, New York 13699-5820
    • Clarkson University

  • Dan Goia

    • Clarkson University

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