Focus Session: Computational Nanoscience II-Methods and Applications

Presentations

• Kinetic Monte Carlo simulations of Ag(111) island coarsening

  ORAL

  March 5, 2007, 9:15 AM – March 5, 2007, 9:27 AM

  Authors

  • Giridhar Nandipati

    • University of Toledo

  • Yunsic Shim

    • University of Toledo

  • Jacques Amar

    • University of Toledo

  • Altaf Karim

    • University of Delaware

  • Abdelkader Kara

    • University of Central Florida

  • Talat Rahman

    • University of Central Florida

  View abstract →

• Self-Learning Off-Lattice Kinetic Monte Carlo method as applied to growth on metal surfaces

  ORAL

  March 5, 2007, 9:27 AM – March 5, 2007, 9:39 AM

  Authors

  • Oleg Trushin

    • Institute of Microelectronics and Informatics RAS, Yaroslavl, Russia

  • Abdelkader Kara

    • University of Central Florida

  • Talat Rahman

    • Univ. of Central Florida
    • University of Central Florida

  View abstract →

• Diffusion Limited Processes Using Accelerated Molecular Dynamics

  ORAL

  March 5, 2007, 9:39 AM – March 5, 2007, 9:51 AM

  Authors

  • Erdi Bleda

    • Department of Physics and Astronomy / Clemson University

  • Xing Gao

    • Dept of Physics \& Astronomy, Clemson University
    • Department of Physics and Astronomy / Clemson University

  • Murray Daw

    • Dept of Physics \& Astronomy, Clemson University
    • Department of Physics and Astronomy / Clemson University

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• Extension of Mean-Field Nucleation Theory with Long-Range Interactions

  ORAL

  March 5, 2007, 9:51 AM – March 5, 2007, 10:03 AM

  Authors

  • John A. Venables

    • Dept. of Physics, Arizona State University

  • James Degraffenreid

    • Dept. of Physics, Arizona State University

  • Ramon Grima

    • Institute for Mathematical Sciences, Imperial College, London, UK

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• Capture-Zone Areas \& the Wigner Distribution: New Case of Universal Scaling of Spacings in Fluctuating Systems

  ORAL

  March 5, 2007, 10:03 AM – March 5, 2007, 10:15 AM

  Authors

  • A. Pimpinelli

    • UBP-Clermont 2 (France) \& UM

  • T.L. Einstein

    • University of Maryland
    • U. of Maryland

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• Feature detection for large-scale molecular dynamics simulations

  ORAL

  March 5, 2007, 10:15 AM – March 5, 2007, 10:27 AM

  Authors

  • Hyoungki Park

    • Ohio State University

  • David Richie

    • Stone Ridge Technology

  • Jeongnim Kim

    • University of Illinois at Urbana-Champaign

  • Joseph Gorse

    • Battelle Memorial Inst

  • John Wilkins

    • Ohio State University

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• Objective Molecular Dynamics

  ORAL

  March 5, 2007, 10:27 AM – March 5, 2007, 10:39 AM

  Authors

  • Traian Dumitrica

    • Department of Mechanical Engineering, University of Minnesota

  • Richard James

    • Department of Aerospace Engineering, University of Minnesota

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• Decorrelation of samples in Quantum Monte Carlo calculations and applications to metallic nanoclusters

  ORAL

  March 5, 2007, 10:39 AM – March 5, 2007, 10:51 AM

  Authors

  • Daniel Nissenbaum

    • Northeastern University

  • Bernardo Barbiellini

    • Northeastern U.
    • Northeastern University

  • Arun Bansil

    • Northeastern University
    • Northeastern U.
    • Northeastern University, Boston, MA 02115

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• Linear Scaling NanoScience Simulations for Petascale Computing

  ORAL

  March 5, 2007, 10:51 AM – March 5, 2007, 11:03 AM

  Authors

  • Zhengji Zhao

    • LBNL

  • Lin-Wang Wang

    • LBNL

  • Juan Meza

    • LBNL

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• Including spin-orbit coupling in materials-specific studies of spin transport.

  ORAL

  March 5, 2007, 11:03 AM – March 5, 2007, 11:15 AM

  Authors

  • A.A. Starikov

    • University of Twente

  • P.J. Kelly

    • University of Twente

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• Modeling the deformation of materials with stochastic fractal microstructure

  ORAL

  March 5, 2007, 11:15 AM – March 5, 2007, 11:27 AM

  Authors

  • M.A. Soare

    • Rensselaer Polytechnic Institute

  • R.C. Picu

    • Rensselaer Polytechnic Institute

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• Binding energies of CO$_{2}$ with some ionic liquids

  ORAL

  March 5, 2007, 11:27 AM – March 5, 2007, 11:39 AM

  Authors

  • William Eucker

    • United States Naval Academy

  • John Bendler

    • United States Naval Academy

  View abstract →