Mesoscopic Systems, Clusters, and Nanoscale Systems I

Presentations

• Single-Molecule Interfacial Electron Transfer Dynamics at Dye-Sensitized TiO$_{2}$ Nanoparticles

  ORAL

  March 20, 2009, 8:00 AM – March 20, 2009, 8:12 AM

  Authors

  • H. Peter Lu

    • Bowling Green State University, Department of Chemistry, Center for Photochemical Sciences, Bowling Green, OH 43403

  • Yuanmin Wang

    • Bowling Green State University, Department of Chemistry, Center for Photochemical Sciences, Bowling Green, OH 43403

  • Yufan He

    • Bowling Green State University, Department of Chemistry, Center for Photochemical Sciences, Bowling Green, OH 43403

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• Phase Diagram of a Model of Nanoparticles in Electrolyte Solutions

  ORAL

  March 20, 2009, 8:12 AM – March 20, 2009, 8:24 AM

  Authors

  • Xiaofei Li

    • Lehigh University

  • Steven Lettieri

    • Lehigh University

  • Nathaniel Wentzel

    • Lehigh University

  • James Gunton

    • Lehigh University

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• Prediction of Zeolite Framework Types by a Machine Learning Approach

  ORAL

  March 20, 2009, 8:24 AM – March 20, 2009, 8:36 AM

  Authors

  • Shujiang Yang

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

  • Mohammed Lach-hab

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

  • Iosif Vaisman

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

  • Estela Blaisten-Barojas

    • Computational Materials Science Center, George Mason University, Fairfax, VA 22030
    • Computational Materials Science Center, George Mason University, Fairfax, VA 20030

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• Site-specific polarizabilities as predictors of optimal binding sites of H$_{2}$O on Na$_{n}$ clusters

  ORAL

  March 20, 2009, 8:36 AM – March 20, 2009, 8:48 AM

  Authors

  • Li Ma

    • Central Michigan University, Mount Pleasant, MI 48859
    • Physics Dept., Central Michigan University, Mount Pleasant, MI 48859

  • Koblar Jackson

    • Central Michigan University, Mount Pleasant, MI 48859
    • Physics Dept., Central Michigan University, Mount Pleasant, MI 48859

  • Julius Jellinek

    • Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne IL 60439, USA
    • Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne IL 60439
    • Argonne National Laboratory

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• Effect of adsorbates on the isomer stability of Ir$_4$ clusters

  ORAL

  March 20, 2009, 8:48 AM – March 20, 2009, 9:00 AM

  Authors

  • Vladan Stevanovic

    • ITP-EPFL and IRRMA, CH-1015 Lausanne, Switzerland

  • Zeljko Sljivancanin

    • IRRMA, CH-1015 Lausanne, Switzerland

  • Alfonso Baldereschi

    • ITP-EPFL and IRRMA, CH-1015 Lausanne, Switzerland and Dipartimento di Fisica Teorica, Universit\`a di Trieste, I - 34014 Trieste, Italy

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• Control and manipulation of Au nanocatalysis: effects of metal oxide support thickness and composition

  ORAL

  March 20, 2009, 9:00 AM – March 20, 2009, 9:12 AM

  Authors

  • Bokwon Yoon

    • School of Physics, Georgia Institute of Technology

  • Chris Harding

  • Vahideh Habibpour

  • Sebastian Kunz

  • Adrian Nam-Su Farnbacher

  • Ueli Heiz

    • Lehrstuhl fur Physikalische Chemie, Technische Universitat Munchen, Germany

  • Uzi Landman

    • School of Physics, Georgia Institute of Technology

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• Role of anharmonic contributions for the elasticity of ice

  ORAL

  March 20, 2009, 9:12 AM – March 20, 2009, 9:24 AM

  Authors

  • Mira Todorova

    • Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf

  • Lars Ismer

    • Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf

  • J\"{o}rg Neugebauer

    • Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf
    • Max-Planck-Institut fuer Eisenforschung GmbH, Max-Planck-Strasse 1, 402 37, Duesseldorf, Germany
    • Max-Planck-Institut for Iron Research, Duesseldorf, Germany
    • Max Planck Institut fuer Eisenforschung GmbH, Duesseldorf, Germany

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• An Assessment of Hubbard U Corrections on Manganese Oxide Clusters

  ORAL

  March 20, 2009, 9:24 AM – March 20, 2009, 9:36 AM

  Authors

  • Elise Li

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

  • Davide Ceresoli

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

  • Nicola Marzari

    • DMSE, Massachusetts Institute of Technology
    • Department of Materials Science and Engineering, MIT
    • MIT
    • M.I.T.
    • Massachusetts Institute of Technology
    • Department of Materials Science and Engineering, Massachusetts Institute of Technology

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• ABSTRACT WITHDRAWN

  March 20, 2009, 9:36 AM – March 20, 2009, 9:48 AM

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• Advances in a Joint Density-Functional Theory for Electronic Systems in Contact with Liquid Water: A New Form of Density Functional for Water

  ORAL

  March 20, 2009, 9:48 AM – March 20, 2009, 10:00 AM

  Authors

  • Johannes Lischner

    • Cornell University

  • Tomas Arias

    • Cornell University

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• The AM05 density functional applied to the water molecule, dimer, and bulk liquid

  ORAL

  March 20, 2009, 10:00 AM – March 20, 2009, 10:12 AM

  Authors

  • Ann E. Mattsson

    • Sandia National Labs
    • Sandia National Laboratories

  • Thomas R. Mattsson

    • Sandia National Labs
    • Sandia National Laboratories

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• Heat capacities of aluminum clusters

  ORAL

  March 20, 2009, 10:12 AM – March 20, 2009, 10:24 AM

  Authors

  • Anne Starace

    • Indiana University--Bloomington

  • Baopeng Cao

    • Indiana University--Bloomington

  • Oscar Judd

    • Indiana University--Bloomington

  • Martin Jarrold

    • Indiana University--Bloomington

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• From Atomic Clusters towards Nano-Materials with Controlled properties

  ORAL

  March 20, 2009, 10:24 AM – March 20, 2009, 10:36 AM

  Authors

  • S.N. Khanna

  • M.C. Qian

  • A.C. Reber

  • J.U. Reveles

  • R. Robles

  • P.A. Clayborne

  • S.V. Ong

  • K. Casalenuovo

    • Virginia Commonwealth University

  • A.W. Castleman Jr.

  • A. Sen

  • P.W. Weiss

  • H. Saavedra

  • A. Ugrinov

  • N. Chaki

    • Pennsylvania State University

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