Computational Methods:Monte Carlo/Molecular Dynamics II

Presentations

• Parallel kinetic Monte Carlo simulations of island-coarsening in two dimensions

  ORAL

  March 16, 2006, 11:15 AM – March 16, 2006, 11:27 AM

  Authors

  • F. Shi

  • Y. Shim

  • J. G. Amar

    • University of Toledo

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• Energy optimization of quantum Monte Carlo wave functions

  ORAL

  March 16, 2006, 11:27 AM – March 16, 2006, 11:39 AM

  Authors

  • C.J. Umrigar

  • Julien Toulouse

    • Cornell University

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• Monte Carlo Modeling of Luminescent Solar Concentrators

  ORAL

  March 16, 2006, 11:39 AM – March 16, 2006, 11:51 AM

  Authors

  • Alex Mooney

  • Paul Fontecchio

  • Bruce Wittmershaus

    • School of Science, Pennsylvania State University: Erie, The Behrend College
    • Pennsylvania State University, Erie

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• Efficiency of rejection free Monte Carlo methods

  ORAL

  March 16, 2006, 11:51 AM – March 16, 2006, 12:03 PM

  Authors

  • Hiroshi Watanabe

    • Department of Complex, Systems Science, Graduate School of Information Science, Nagoya University

  • Yukawa Satoshi

    • Department of Applied Physics, School of Engineering, The University of Tokyo

  • Mark A. Novotny

    • Department of Physics \& Astronomy, ERC Center for Computational Sciences, Mississippi State University

  • Nobuyasu Ito

    • Department of Applied Physics, School of Engineering, The University of Tokyo

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• Improved sampling of computationally expensive potentials

  ORAL

  March 16, 2006, 12:03 PM – March 16, 2006, 12:15 PM

  Authors

  • Mark Dewing

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• Optimally efficient coarse-grained Monte Carlo simulation of rare transition events

  ORAL

  March 16, 2006, 12:15 PM – March 16, 2006, 12:27 PM

  Authors

  • Babak Sadigh

    • Lawrence Livermore Nationa Laboratory, Livermore, CA 94550

  • Tomas Oppelstrup

    • Lawrence Livermore National Laboratory

  • Wei Cai

    • Dept of Mechanical Engineering, Stanford University

  • Maurice de Koning

  • Malvin Kalos

  • Vasily Buolatov

    • Lawrence Livermore National Laboratory

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• Optimized parallel tempering simulations of proteins

  ORAL

  March 16, 2006, 12:27 PM – March 16, 2006, 12:39 PM

  Authors

  • Simon Trebst

    • Microsoft, Project Q, and Kavli Institute for Theoretical Physics, Santa Barbara, CA 93106

  • Matthias Troyer

    • Theoretische Physik, ETH Zurich, CH-8093 Zurich, Switzerland

  • Ulrich Hansmann

    • John-von-Neumann Institute for Computing, Forschungszentrum Julich, D-52425 Julich, Germany

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• Hybrid DFT/Thomas-Fermi simulations and applications to biological systems

  ORAL

  March 16, 2006, 12:39 PM – March 16, 2006, 12:51 PM

  Authors

  • Miroslav Hodak

    • North Carolina State University, Raleigh

  • Wenchang Lu

  • Jerry Bernholc

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• Environment Dependent Dynamic Charge Interatomic Potential for Silica

  ORAL

  March 16, 2006, 12:51 PM – March 16, 2006, 1:03 PM

  Authors

  • Lex Kemper

  • Krishna Muralidharan

  • Yingxia Wan

  • Haiping Cheng

    • University of Florida

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• Universal Dynamic Exponent at the Liquid-Gas Transition from Molecular Dynamics

  ORAL

  March 16, 2006, 1:03 PM – March 16, 2006, 1:15 PM

  Authors

  • Subhranil De

  • An Chen

  • Eldred Chimowitz

  • Yonathan Shapir

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• Global and local properties used as analyses tools for molecular-dynamics simulations

  ORAL

  March 16, 2006, 1:15 PM – March 16, 2006, 1:27 PM

  Authors

  • Martina E. Bachlechner

    • West Virginia University, Physics Department
    • West Virginia University, Physics Dept.

  • Jonas T. Anderson

  • Deng Cao

  • Robert H. Leonard

  • Eli T. Owens

  • Jarrod E. Schiffbauer

    • West Virginia University, Physics Department

  • Melissa R. Burky

    • Chemistry Department, Davis \& Elkins College, Elkins, West Virginia 26241

  • Samuel C. Ducatman

  • Eric J. Guffey

    • University High School, Morgantown, West Virginia 26505

  • Fernando Serrano Ramos2

    • Department of Computer Science, Metropolitan University, San Juan, Puerto Rico 00928

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• Molecular Dynamics Simulations of Nanoscratching of 3C-SiC

  ORAL

  March 16, 2006, 1:27 PM – March 16, 2006, 1:39 PM

  Authors

  • Alice Noreyan

  • J.G. Amar

    • University of Toledo

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• Charge density wave and phonon softening in the Holstein model: A Quantum Monte Carlo study

  ORAL

  March 16, 2006, 1:39 PM – March 16, 2006, 1:51 PM

  Authors

  • Prabuddha Chakraborty

    • University of California, Davis

  • Alexandru Macridin

    • University of Cincinnati

  • Richard Scalettar

    • University of California, Davis

  • Warren Pickett

    • University of California, Davis
    • Department of Physics, UC DAVIS
    • UC Davis

  • Rajiv Singh

    • University of California, Davis
    • University of California at Davis

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