Focus Session: Simulation of Complex Materials I

Presentations

• Orbital-order-induced metal-insulator transition in manganites

  ORAL

  March 14, 2006, 8:00 AM – March 14, 2006, 8:12 AM

  Authors

  • Sanjeev Kumar

  • Arno Kampf

    • University of Augsburg (Germany)
    • University of Augsburg

  • Pinaki Majumdar

    • HRI, Allahabad (India)

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• Sequencing-Independent Delocalization in a DNA-Like Double Chain with Base Pairing

  ORAL

  March 14, 2006, 8:12 AM – March 14, 2006, 8:24 AM

  Authors

  • Rodrigo Caetano

    • UNICAMP

  • Peter Schulz

    • UNICAMP

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• Orientational Defects in Ice Ih: An Interpretation of Electrical Conductivity Measurements

  ORAL

  March 14, 2006, 8:24 AM – March 14, 2006, 8:36 AM

  Authors

  • Maurice de Koning

  • Alex Antonelli

    • Instituto de F\'{i}sica ``Gleb Wataghin'', UNICAMP
    • Universidade Estadual de Campinas

  • Ant\^{o}nio J. R. da Silva

    • Instituto de F\'{i}sica, Universidade de S\~{a}o Paulo

  • A. Fazzio

    • Instituto de F\'{i}sica, Universidade de S\"{a}o Paulo
    • Universidade de Sao Paulo
    • Instituto de F\'{i}sica, USP, CP 66381, 05315-970, S\~{a}o Paulo - SP, Brazil
    • Instituto de F\'{i}sica, Universidade de S\~{a}o Paulo

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• Scaling behavior of Film growth mechanism

  ORAL

  March 14, 2006, 8:36 AM – March 14, 2006, 8:48 AM

  Authors

  • Mina Yoon

  • H.N. Lee

    • Oak Ridge National Laboratory

  • Zhigang Suo

  • Wei Hong

    • Harvard University

  • Hans M. Christen

  • D.H. Lowndes

    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Oak Ridge, TN, USA

  • Zhenyu Zhang

    • Condensed Matter Sciences Division, Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory \& University of Tennessee
    • University of Tennessee \& ORNL
    • Oak Ridge National Lab
    • Oak Ridge National Lab, University of Tennessee

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• One-dimensional Hartree-Fock calculations for electrons in a constriction

  ORAL

  March 14, 2006, 8:48 AM – March 14, 2006, 9:00 AM

  Authors

  • Jiang Qian

    • Harvard University

  • Bertrand Halperin

    • Physics Department, Harvard University

  • Walter Hofstetter

    • Institut f\"{u}r Theoretische Physik A, RWTH Aachen

  • Gergely Zarand

    • Institute of Physics, TU Budapest
    • Budapest University of Technology and Economics
    • Institut f\"{u}r Theoretische Festkorperphysik, Universitat Karlsruhe

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• Mixed Wannier-Bloch functions for electrons and phonons in extended disordered systems

  ORAL

  March 14, 2006, 9:00 AM – March 14, 2006, 9:12 AM

  Authors

  • Alfredo Pasquarello

    • Ecole Polytechnique F\'ed\'erale de Lausanne (EPFL), Institute of Theoretical Physics, CH-1015 Lausanne
    • Ecole Polytechnique F\'ed\'erale de Lausanne

  • Feliciano Giustino

    • University of California at Berkeley

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• Quantum Monte Carlo Calculations of Transition Metal Oxides

  COFFEE_KLATCH · Invited

  March 14, 2006, 9:12 AM – March 14, 2006, 9:48 AM

  Authors

  • Lucas Wagner

    • Center for High Performance Simulation, North Carolina State University

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• First Principles Study of Formation Energies and Diffusion Mechanisms of Native Point Defects in Rutile TiO$_{2-x}$

  ORAL

  March 14, 2006, 9:48 AM – March 14, 2006, 10:00 AM

  Authors

  • Hakim Iddir

  • Serdar Ogut

    • University of Illinois at Chicago
    • Department of Physics, University of Illinois at Chicago, Chicago IL 60607

  • Nigel Browning

    • University of California at Davis

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• Multifunctionality and Fluid Permeabilities of Triply Periodic Minimal Surfaces

  ORAL

  March 14, 2006, 10:00 AM – March 14, 2006, 10:12 AM

  Authors

  • Youngjean Jung

    • PRISM and Chemistry

  • Salvatore Torquato

    • PRISM, Chemistry, and PACM, Princeton University

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• Ab Initio Structural Energetics of Bare $\beta-$Si$_3$N$_4$ Surfaces and the Interface with Sm$_2$O$_3$

  ORAL

  March 14, 2006, 10:12 AM – March 14, 2006, 10:24 AM

  Authors

  • Juan-Carlos Idrobo

    • University of Illinois at Chicago

  • Hakim Iddir

  • Serdar Ogut

    • University of Illinois at Chicago
    • Department of Physics, University of Illinois at Chicago, Chicago IL 60607

  • Alexander Ziegler

  • Nigel Browning

    • University of California at Davis

  • R.O. Ritchie

    • University of California at Berkeley

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• Manipulation/Extraction of an Adatom from a Mound

  ORAL

  March 14, 2006, 10:24 AM – March 14, 2006, 10:36 AM

  Authors

  • Handan Yildirim

  • Abdelkader Kara

  • Talat S. Rahman

    • Kansas State University
    • Physics Department, Kansas State University
    • Department of Physics, Kansas State University, Manhattan, KS 66506
    • Physics Department Kansas State University
    • Department of Physics, Kansas State University, Manhattan, USA

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• Viscoelastic Stokes Flow

  ORAL

  March 14, 2006, 10:36 AM – March 14, 2006, 10:48 AM

  Authors

  • M. Gregory Forest

    • University of North Carolina at Chapel Hill

  • Ke Xu

    • University of North Carolina at Chapel Hill

  • Isaac Klapper

    • Montana State University

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