Focus Session: Computational Nanoscience II

Presentations

• Magic structures of binary metallic clusters

  COFFEE_KLATCH · Invited

  March 21, 2005, 8:15 AM – March 21, 2005, 8:51 AM

  Authors

  • Riccardo Ferrando

    • Dipartimento di Fisica, Universita' di Genova, Italy
    • Dipartimento di Fisica, Universita` di Genova

  View abstract →

• Density functional study of structural properties of bimetallic Pt-Ni nanoparticles

  ORAL

  March 21, 2005, 8:51 AM – March 21, 2005, 9:03 AM

  Authors

  • Luis A. Perez

    • Instituto de Fisica, Universidad Nacional Autonoma de Mexico

  • Karo Michaelian

  • Ignacio L. Garzon

    • Instituto de Fisica, Universidad Nacional Autonoma de Mexico
    • Instituto de Fisica, UNAM

  View abstract →

• Origin of electric dipole moments in free niobium clusters

  ORAL

  March 21, 2005, 9:03 AM – March 21, 2005, 9:15 AM

  Authors

  • Kristopher Andersen

    • UC Davis

  • Vijay Kumar

  • Yoshiyuki Kawazoe

    • Tohoku University, Japan

  • Warren Pickett

    • UC Davis

  View abstract →

• Saturation effects in silver-particle aggregates due to nonliearity

  ORAL

  March 21, 2005, 9:15 AM – March 21, 2005, 9:27 AM

  Authors

  • A. Buin

  • P. DeChatel

    • New Mexico State University
    • European Commission, Joint Research Center, Institute for Transuranium Compounds
    • LANSCE, Los Alamos National Laboratory
    • Physics Department, Colorado State University
    • School of Electrical and Computer Engineering, Purdue University

  • P. DeChatel

    • New Mexico State University
    • European Commission, Joint Research Center, Institute for Transuranium Compounds
    • LANSCE, Los Alamos National Laboratory
    • Physics Department, Colorado State University
    • School of Electrical and Computer Engineering, Purdue University

  • P. DeChatel

    • New Mexico State University
    • European Commission, Joint Research Center, Institute for Transuranium Compounds
    • LANSCE, Los Alamos National Laboratory
    • Physics Department, Colorado State University
    • School of Electrical and Computer Engineering, Purdue University

  • P. DeChatel

    • New Mexico State University
    • European Commission, Joint Research Center, Institute for Transuranium Compounds
    • LANSCE, Los Alamos National Laboratory
    • Physics Department, Colorado State University
    • School of Electrical and Computer Engineering, Purdue University

  View abstract →

• Size Dependence of the Static Polarizabilities and Absorption Spectra of Ag clusters

  ORAL

  March 21, 2005, 9:27 AM – March 21, 2005, 9:39 AM

  Authors

  • Serdar Ogut

    • University of Illinois at Chicago

  • Juan C. Idrobo

    • University of Illinois at Chicago

  • Julius Jellinek

    • Chemistry Division, Argonne National Laboratory

  View abstract →

• Metastability of a gold nano ring

  ORAL

  March 21, 2005, 9:39 AM – March 21, 2005, 9:51 AM

  Authors

  • Qian Wang

    • Virginia Commonwealth University

  • Qiang Sun

    • Virginia Commonwealth University

  • Puru Jena

    • Virginia Commonwealth University
    • Virgina Commonwealth University

  View abstract →

• Single-walled (5,3) gold nanotube-a theoretical study

  ORAL

  March 21, 2005, 9:51 AM – March 21, 2005, 10:03 AM

  Authors

  • Chih-Kai Yang

    • Chang Gung University

  View abstract →

• First-principles study of structure and energetics of supported Ru/Pt clusters on C(0001) and BN(0001) surfaces

  ORAL

  March 21, 2005, 10:03 AM – March 21, 2005, 10:15 AM

  Authors

  • Lin-Lin Wang

  • Duane D. Johnson

    • University of Illinois at Urbana-Champaign
    • Materials Science and Engineering, U. of Illinois -- Urbana-Champaign, Urbana, IL 61801
    • Materials Science and Engineering, University of Illinois -- Urbana-Champaign

  View abstract →

• Computational Study of Atomistic Strain Relaxation Mechanisms in Biaxially Strained Ultra-Thin Metallic Films

  ORAL

  March 21, 2005, 10:15 AM – March 21, 2005, 10:27 AM

  Authors

  • M. Rauf Gungor

    • University of Massachusetts, Amherst

  • Dimitrios Maroudas

    • University of Massachusetts, Amherst
    • Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003-3110

  View abstract →

• Comparative study of CO adsorption on nanostructured Cu and Au surfaces

  ORAL

  March 21, 2005, 10:27 AM – March 21, 2005, 10:39 AM

  Authors

  • Faisal Mehmood

  • Abdelkader Kara

  • Talat S. Rahman

    • Department of Physics, Kansas State University, Manhattan, KS
    • Kansas State University
    • Department of Physics, Kansas State University
    • Department of Physics, Kansas State University, Manhattan KS 66502

  • Claude R. Henry

    • CRMCN, Marseille Cedex 09, France

  View abstract →

• Interaction of O$_2$ with Silver Cluster Cations

  ORAL

  March 21, 2005, 10:39 AM – March 21, 2005, 10:51 AM

  Authors

  • Seung Bum Suh

  • Bokwon Yoon

  • Uzi Landman

    • School of Physics Georgia Institute of Technology, Atlanta, GA 30332-0430

  View abstract →

• A DFT study of the effects of preparation conditions on the reactivity of Pt/$\alpha$-alumina catalysts

  ORAL

  March 21, 2005, 10:51 AM – March 21, 2005, 11:03 AM

  Authors

  • Valentino R. Cooper

  • Andrew M. Rappe

    • University of Pennsylvania

  View abstract →

• First-principles study of ammonia synthesis on a supported iron nanocluster

  ORAL

  March 21, 2005, 11:03 AM – March 21, 2005, 11:15 AM

  Authors

  • Zeljko Sljivancanin

    • Institut Romand de Recherche Numerique en Physique des Materiaux, Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

  • Alfredo Pasquarello

    • Institut Romand de Recherche Numerique en Physique des Materiaux, Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

  View abstract →

• Structure, Bonding, and Dynamics of Thiolates on Copper and Gold Clusters and Surfaces

  ORAL

  Authors

  • Martin Konopka

    • CCMS, FEI STU
    • CCMS, Slovak University of Technology (FEI STU), Bratislava, Slovakia

  • Roger Rousseau

    • ISAS/SISSA, 4 Via Beirut, 34014 Trieste, Italy

  • Ivan Stich

    • CCMS, FEI STU
    • CCMS, Slovak University of Technology (FEI STU), Bratislava, Slovakia

  • Dominik Marx

    • Ruhr-Universitaet Bochum, Bochum, Germany
    • Ruhr--Universitaet Bochum, 44780 Bochum, Germany

  View abstract →