Computational Methods: Monte Carlo/Molecular Dynamics I

Presentations

• Density-Matrix Based Fixed-Node and Fixed-Phase Approximation for Quantum Monte Carlo

  ORAL

  March 16, 2006, 8:00 AM – March 16, 2006, 8:12 AM

  Authors

  • John Shumway

    • Arizona State University
    • Dept. of Physics and Astronomy, Arizona State University

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• Worm algorithm for continuous-space Path Integral Monte Carlo simulations

  ORAL

  March 16, 2006, 8:12 AM – March 16, 2006, 8:24 AM

  Authors

  • Massimo Boninsegni

    • University of Alberta

  • Nikolay Prokof'ev

    • University of Massachusetts

  • Boris Svistunov

    • University of Massachusetts Amherst
    • University of Massachusetts
    • Department of Physics, University of Massachusetts, Amherst, Massachusetts 01003
    • University of Massachusetts, Amherst

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• Green's function analysis of path integral Monte Carlo molecular simulations

  ORAL

  March 16, 2006, 8:24 AM – March 16, 2006, 8:36 AM

  Authors

  • Daejin Shin

    • Arizona State University

  • John Shumway

    • Arizona State University
    • Dept. of Physics and Astronomy, Arizona State University

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• Energy Optimization of Many-Body Wave Functions: Application to Silicon Interstitial Defects

  ORAL

  March 16, 2006, 8:36 AM – March 16, 2006, 8:48 AM

  Authors

  • Cyrus J. Umrigar

    • Cornell University

  • W. D. Parker

  • K. P. Driver

  • Richard G. Hennig

  • John W. Wilkins

    • The Ohio State University
    • the Ohio State University
    • Department of Physics, Ohio State University, Columbus, OH 43210

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• Study of Atoms and Molecules with Auxiliary-Field Quantum Monte Carlo

  ORAL

  March 16, 2006, 8:48 AM – March 16, 2006, 9:00 AM

  Authors

  • Wirawan Purwanto

  • Malliga Suewattana

  • Henry Krakauer

    • College of William and Mary

  • Shiwei Zhang

    • College of William and Mary

  • Eric J. Walter

    • College of William and Mary, VA
    • College of William and Mary

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• Auxiliary field quantum Monte Carlo study of transition metal and post-d group atoms and molecules

  ORAL

  March 16, 2006, 9:00 AM – March 16, 2006, 9:12 AM

  Authors

  • Henry Krakauer

    • College of William and Mary

  • Wissam A. Al-Saidi

    • College of William and Mary

  • Shiwei Zhang

    • College of William and Mary

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• Accuracy of the pseudopotential and fixed-node approximations for C$_2$, Si$_2$ and defects in crystalline Si

  ORAL

  March 16, 2006, 9:12 AM – March 16, 2006, 9:24 AM

  Authors

  • Richard G. Hennig

    • Department of Physics, Ohio State University

  • Cyrus J. Umrigar

  • Julien Toulouse

    • Cornell Theory Center, Cornell University

  • John W. Wilkins

    • Department of Physics, Ohio State University

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• Structure of fermion nodes and nodal cells for QMC wave functions

  ORAL

  March 16, 2006, 9:24 AM – March 16, 2006, 9:36 AM

  Authors

  • Lubos Mitas

    • North Carolina State University

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• Multi-pfaffian pairing wave functions for quantum Monte Carlo

  ORAL

  March 16, 2006, 9:36 AM – March 16, 2006, 9:48 AM

  Authors

  • Michal Bajdich

  • Lubos Mitas

    • CHIPS, Department of Physics, North Carolina State University, Raleigh, NC 27695

  • Kevin E. Schmidt

    • Department of Physics, Arizona State University, Tempe, AZ 85287

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• Backflow transformations in inhomogeneous systems

  ORAL

  March 16, 2006, 9:48 AM – March 16, 2006, 10:00 AM

  Authors

  • Pablo Lopez Rios

  • Andrea Ma

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.

  • Neil D. Drummond

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.

  • Richard J. Needs

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.
    • TCM Group, University of Cambridge

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• The equation of state of diamond from quantum Monte Carlo calculations

  ORAL

  March 16, 2006, 10:00 AM – March 16, 2006, 10:12 AM

  Authors

  • Ryo Maezono

    • National Institute for Materials Science, Japan.

  • Andrea Ma

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.

  • Mike D. Towler

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.

  • Neil D. Drummond

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.

  • Richard J. Needs

    • TCM, Cavendish Laboratory, University of Cambrigde, U.K.
    • TCM Group, University of Cambridge

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• Improved estimators for quantum Monte Carlo calculation of spherically averaged intracule densities

  ORAL

  March 16, 2006, 10:12 AM – March 16, 2006, 10:24 AM

  Authors

  • Julien Toulouse

    • Cornell University

  • Roland Assaraf

    • Universite Pierre et Marie Curie

  • Cyrus J. Umrigar

    • Cornell University

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• Accurate energy differences with Quantum Monte Carlo

  ORAL

  March 16, 2006, 10:24 AM – March 16, 2006, 10:36 AM

  Authors

  • Simone Chiesa

  • David Ceperley

    • University of Illinois at Urbana-Champaign
    • UIUC Physics Dept.
    • University of Illinois Urbana-Champaign

  • Jeongnim Kim

  • Richard Martin

    • UIUC
    • Physics Dept. at UIUC

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