Focus Session: Computational Nanoscience IV - Nanoparticles

Presentations

• Evolution of Magnetism from Atoms to Crystals

  COFFEE_KLATCH · Invited

  March 7, 2007, 6:00 AM – March 7, 2007, 6:36 AM

  Authors

  • Murilo L. Tiago

    • University of Texas at Austin
    • University of Minnesota
    • ICES, University of Texas at Austin

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• Electronic and structural properties of binary Pt-Ni nanoclusters

  ORAL

  March 7, 2007, 6:36 AM – March 7, 2007, 6:48 AM

  Authors

  • Luis A. P\'erez

    • Instituto de Fisica, Universidad Nacional Autonoma de Mexico (UNAM)
    • Universidad Nacional Autonoma de Mexico
    • Instituto de F\'isica, Universidad Nacional Aut\'onoma de M\'exico

  • Ignacio L. Garz\'on

    • Universidad Nacional Autonoma de Mexico
    • Instituto de F\'isica, Universidad Nacional Aut\'onoma de M\'exico

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• First principles studies of the geometric and electronic structure of nanoalloy Ag$_{27}$Cu$_{7}$.

  ORAL

  March 7, 2007, 6:48 AM – March 7, 2007, 7:00 AM

  Authors

  • Marisol Alcantara Ortigoza

    • Kansas State University

  • Talat Rahman

    • Univ. of Central Florida
    • University of Central Florida

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• Bond Stiffening in Small Clusters, and its Consequences

  ORAL

  March 7, 2007, 7:00 AM – March 7, 2007, 7:12 AM

  Authors

  • Shobhana Narasimhan

    • Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India

  • Raghani Pushpa

    • Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India

  • Umesh Waghmare

    • Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India

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• Structural Properties of Small Pd Clusters

  ORAL

  March 7, 2007, 7:12 AM – March 7, 2007, 7:24 AM

  Authors

  • Jos\'e Rogan

    • Universidad de Chile

  • Griselda Garc{\'i}a

    • P. Universidad Catolica de Chile

  • Juan Alejandro Valdivia

    • Universidad de Chile

  • Ricardo Ram{\'i}rez

    • P. Universidad Catolica de Chile

  • Miguel Kiwi

    • P. Universidad Catolica de Chile

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• Efficient method to calculate total energies of large nanoclusters

  ORAL

  March 7, 2007, 7:24 AM – March 7, 2007, 7:36 AM

  Authors

  • Min Yu

    • University of Illinois at Urbana-Champaign

  • Rampi Ramprasad

    • University of Connecticut

  • Gayanath Fernando

    • University of Connecticut
    • Department of Physics, University of Connecticut

  • Richard Martin

    • University of Illinois at Urbana-Champaign

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• First principles study of coulombic correlation effect on lithium doped zinc oxide nanocrystals

  ORAL

  March 7, 2007, 7:36 AM – March 7, 2007, 7:48 AM

  Authors

  • Hyunwook Kwak

    • University of Minnesota

  • Murilo L. Tiago

    • University of Texas at Austin
    • University of Minnesota
    • ICES, University of Texas at Austin

  • James R. Chelikowsky

    • University of Texas
    • University of Texas at Austin
    • ICES, University of Texas at Austin

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• Excitonic effects and optical properties of passivated CdSe clusters

  ORAL

  March 7, 2007, 7:48 AM – March 7, 2007, 8:00 AM

  Authors

  • Marie Lopez del Puerto

    • University of Minnesota

  • Murilo L. Tiago

    • University of Texas at Austin
    • University of Minnesota
    • ICES, University of Texas at Austin

  • James R. Chelikowsky

    • University of Texas
    • University of Texas at Austin
    • ICES, University of Texas at Austin

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• Structure and Dynamics of Silicon Carbide Clusters: A Tight-Binding Adaptive Monte Carlo Application

  ORAL

  March 7, 2007, 8:00 AM – March 7, 2007, 8:12 AM

  Authors

  • Anthony Patrick

    • Computational Materials Science Center, George Mason University, Fairfax, VA 22030

  • Xiao Dong

    • Computational Materials Science Center, George Mason University, Fairfax, VA 22030

  • Estela Blaisten-Barojas

    • Computational Materials Science Center, George Mason University, Fairfax, VA 22030

  • Thomas Allison

    • National Institute of Standards and Technology

  • Anwar Hasmy

    • NIST, Gaithersburg MD \& Inest Group, PMUSA, Richmond VA
    • National Institute of Standards and Technology

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• First-principles studies of isomerization processes of silicon clusters

  ORAL

  March 7, 2007, 8:12 AM – March 7, 2007, 8:24 AM

  Authors

  • Leonidas Tsetseris

    • Vanderbilt University

  • George Hadjisavvas

    • Vanderbilt University

  • Sokrates T. Pantelides

    • Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235
    • Vanderbilt University
    • Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 and Oak Ridge National Laboratory, Oak Ridge, TN 37831

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• Investigation of the structure and properties of vacancies in Si and Ge nano-crystals by \textit{ab initio} methods

  ORAL

  March 7, 2007, 8:24 AM – March 7, 2007, 8:36 AM

  Authors

  • Scott Beckman

    • University of Texas
    • ICES, University of Texas at Austin

  • James R. Chelikowsky

    • University of Texas
    • University of Texas at Austin
    • ICES, University of Texas at Austin

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• Self-purification in semiconductor nanostructures

  ORAL

  March 7, 2007, 8:36 AM – March 7, 2007, 8:48 AM

  Authors

  • Gustavo Dalpian

    • Universidade Federal do ABC

  • James R. Chelikowsky

    • University of Texas
    • University of Texas at Austin
    • ICES, University of Texas at Austin

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