Novel Computational Algorithms II

Presentations

• Simple but effective finite difference methods for simulating shock phenomena arising in continuum mechanics

  COFFEE_KLATCH · Invited

  March 22, 2005, 5:00 AM – March 22, 2005, 5:36 AM

  Authors

  • Pedro Jordan

    • Naval Research Laboratory

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• Model A Dynamics in Potts Models and Pure Lattice Gauge Theory

  ORAL

  March 22, 2005, 5:36 AM – March 22, 2005, 5:48 AM

  Authors

  • Bernd Berg

  • Alexei Bazavov

    • Florida State University

  • Alexander Velytsky

    • UCLA

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• Improved Wang-Landau algorithm for the joint density of states of continuous models

  ORAL

  March 22, 2005, 5:48 AM – March 22, 2005, 6:00 AM

  Authors

  • Chenggang Zhou

    • Computer Science and Mathematics Div., Oak Ridge Natl. Lab.

  • T. C. Schulthess

    • Oak Ridge National Laboratory
    • Computer Science and Mathematics Div., Oak Ridge National Laboratory

  • D. P. Landau

    • Center for Simulational Physics, Univ. of Georgia, Athens, GA 30602
    • Center for Simulational Physics, Univ. of Georgia

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• Genetic-Algorithm first-principles prediction of novel ground state

  ORAL

  March 22, 2005, 6:00 AM – March 22, 2005, 6:12 AM

  Authors

  • Alex Zunger

    • National Renewable Energy Lab, Golden, CO 80401
    • National Renewable Energy Laboratory, Golden, CO 80401

  • Volker Blum$^{2,}$

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• Optimization the localized orbitals in nearly O(N) electronic structure methods

  ORAL

  March 22, 2005, 6:12 AM – March 22, 2005, 6:24 AM

  Authors

  • Qingzhong Zhao

  • Wenchang Lu

    • North Carolina State University, Raleigh

  • Jerry Bernholc

    • NC State University
    • North Carolina State University

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• Direct enumeration investigation of bandgaps and effective masses of semiconductor alloys

  ORAL

  March 22, 2005, 6:24 AM – March 22, 2005, 6:36 AM

  Authors

  • Peter A. Graf

  • Kwiseon Kim

    • National Renewable Energy Laboratory, Golden, CO 80401

  • Wesley B. Jones

    • National Renewable Energy Laboratory, Golden, CO 80401

  • Gus L. W. Hart

    • Dept. of Physics and Astronomy, Northen Arizona University, Flagstaff, AZ 86011-6010

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• Atomistic material design by optimization

  ORAL

  March 22, 2005, 6:36 AM – March 22, 2005, 6:48 AM

  Authors

  • Kwiseon Kim

    • National Renewable Energy Laboratory, Golden, CO 80401

  • Peter A. Graf

  • Wesley B. Jones

    • National Renewable Energy Laboratory, Golden, CO 80401

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• Physically-motivated dynamical algorithms for the graph isomorphism problem

  ORAL

  March 22, 2005, 6:48 AM – March 22, 2005, 7:00 AM

  Authors

  • Shiueyuan Shiau

  • Robert Joynt

  • S.N. Coppersmith

    • Physics Dept., Univ. of Wisconsin-Madison

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• Object-oriented Development of an All-electron Gaussian Basis DFT Code for Periodic Systems

  ORAL

  March 22, 2005, 7:00 AM – March 22, 2005, 7:12 AM

  Authors

  • John Alford

  • Samuel Trickey

    • Physics and QTP, Univ. Florida
    • Quantum Theory Project, Dept. of Physics, University of Florida

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• Finite Element Discrete Variable Method for the Solution of the Time-Dependent Schroedinger Equation

  ORAL

  March 22, 2005, 7:12 AM – March 22, 2005, 7:24 AM

  Authors

  • Barry Schneider

    • Physics Division, National Science Foundation

  • Lee Collins

    • Theoretical Division, Los Alamos National Laboratory

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• Hybrid DFT/Thomas-Fermi-like simulations of solvated molecules in water

  ORAL

  March 22, 2005, 7:24 AM – March 22, 2005, 7:36 AM

  Authors

  • Miroslav Hodak

  • Wenchang Lu

  • Jerry Bernholc

    • North Carolina State University, Raleigh

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• Positivity Preserving Nonstandard Finite Difference Schemes for PDE's Having Cross-Diffusion Terms

  ORAL

  Authors

  • Ronald Mickens

    • Clark Atlanta University

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• Numerical classical and quantum mechanical simulations of charge density wave models

  POSTER

  Authors

  • Andrew Beckwith

    • Department of Physics and Texas Center for Superconductivity and Advanced Materials at the University of Houston

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