Computational Methods Classical and Quantum Monte Carlo

Presentations

• Quantum Monte Carlo Study on NiO crystal

  ORAL

  March 23, 2005, 8:15 AM – March 23, 2005, 8:27 AM

  Authors

  • Ryo Maezono

    • National Institute for Materials Science

  • M.D. Towler

    • TCM Group, Cavendish Laboratory, University of Cambridge

  • Richard Needs

    • TCM Group, Cavendish Laboratory, University of Cambridge
    • TCM Group, Cavendish Laboratory, Cambridge, UK

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• Interpretation of Hund's multiplicity rule for the atomic systems

  ORAL

  March 23, 2005, 8:27 AM – March 23, 2005, 8:39 AM

  Authors

  • Kenta Hongo

  • Takayuki Oyamada

    • Institute for Materials Research, Tohoku University

  • Ryo Maezono

    • National Institute for Materials Science

  • Yoshiyuki Kawazoe

    • Institute for Materials Research, Tohoku University, Sendai 980-8578, Japan
    • IMR, Tohoku Univ. Sendai, Japan

  • Hiroshi Yasuhara

    • Institute for Materials Research, Tohoku University

  • M.D. Towler

    • TCM Group, Cavendish Laboratory, University of Cambridge

  • Richard Needs

    • TCM Group, Cavendish Laboratory, University of Cambridge
    • TCM Group, Cavendish Laboratory, Cambridge, UK

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• Pfaffian wavefunctions with pairing orbitals for electronic structure quantum Monte Carlo

  ORAL

  March 23, 2005, 8:39 AM – March 23, 2005, 8:51 AM

  Authors

  • Michal Bajdich

  • Gabriel Drobny

  • Lucas K. Wagner

    • Center for High Performance Simulation and Department of Physics, North Carolina State University

  • Kevin E. Schmidt

    • Arizona State University

  • L. Mitas

    • Center for High Performance Simulation and Department of Physics, North Carolina State University
    • North Carolina State University
    • Department of Physics, North Carolina State University, Raleigh, NC 27695

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• Nodes of fermionic wavefunctions: coordinate transformations and topologies

  ORAL

  March 23, 2005, 8:51 AM – March 23, 2005, 9:03 AM

  Authors

  • L. Mitas

    • Center for High Performance Simulation and Department of Physics, North Carolina State University
    • North Carolina State University
    • Department of Physics, North Carolina State University, Raleigh, NC 27695

  • Michal Bajdich

  • Gabriel Drobny

  • Lucas K. Wagner

    • Center for High Performance Simulation and Department of Physics, North Carolina State University

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• Dielectric Response of Periodic Systems from Quantum Monte Carlo

  ORAL

  March 23, 2005, 9:03 AM – March 23, 2005, 9:15 AM

  Authors

  • Paolo Umari

    • DMSE-MIT

  • Andrew J. Willamson

  • Giulia Galli

    • University of California, Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab
    • Lawrence Livermore National Lab.

  • Nicola Marzari

    • Department of Materials Science and Engineering, MIT
    • DMSE, MIT, Cambridge, MA 02139
    • Department of Materials Science and Engineering, Massachusetts Institute of Technology
    • DMSE-MIT
    • Department of Materials Science and Engineering and Institute for Soldier Nanotechnologies, Massachusetts Institute of Technology
    • DMSE and ISN Massachusetts Institute of Technology
    • Materials Science and Engineering, MIT
    • Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139

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• Coupled Electron-Ion Monte Carlo Study of Hydrogen

  ORAL

  March 23, 2005, 9:15 AM – March 23, 2005, 9:27 AM

  Authors

  • Kris Delaney

  • David Ceperley

    • University of Illinois at Urbana-Champaign

  • Carlo Pierleoni

    • Dipartimento di Fisica, Universit\`a del L'Aquila, L'Aquila, Italy

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• Auxiliary Field Quantum Monte Carlo in Continuum Systems

  ORAL

  March 23, 2005, 9:27 AM – March 23, 2005, 9:39 AM

  Authors

  • Luke Shulenburger

  • Richard Martin

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

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• Quantum Monte Carlo Study of Composite-Fermions in Quantum Dots

  ORAL

  March 23, 2005, 9:39 AM – March 23, 2005, 9:51 AM

  Authors

  • Alev Devrim Guclu

    • Cornell University

  • Gun Sang Jeon

    • Pennsylvania State University

  • Cyrus Umrigar

    • Cornell University

  • Jainendra Jain

    • Pennsylvania State University

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• Quantum Monte Carlo examines accuracy of density functional approximations for defects and phase transformations in silicon

  ORAL

  March 23, 2005, 9:51 AM – March 23, 2005, 10:03 AM

  Authors

  • Richard G. Hennig

    • Ohio State University

  • Kevin P. Driver

  • William D. Parker

  • John W. Wilkins

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

  • Cyrus J. Umrigar

    • Cornell Theory Center, Cornell University, Ithaca, NY 14853

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• Auxiliary Field Quantum Monte Carlo Study of Ground State Properties of Atoms and Molecules

  ORAL

  March 23, 2005, 10:03 AM – March 23, 2005, 10:15 AM

  Authors

  • Malliga Suewattana

    • College of William and Mary

  • Shiwei Zhang

    • College of William and Mary
    • College of William and Mary, Virginia

  • Henry Krakauer

    • College of William and Mary

  • Eric Walter

    • College of William and Mary

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• Study of TiO and MnO using auxiliary field quantum Monte Carlo

  ORAL

  March 23, 2005, 10:15 AM – March 23, 2005, 10:27 AM

  Authors

  • Wissam Al-Saidi

  • Henry Krakauer

    • College of William and Mary

  • Shiwei Zhang

    • College of William and Mary

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• Monte Carlo Calculations of Finite Temperature Transition Rates in Nickel

  ORAL

  March 23, 2005, 10:27 AM – March 23, 2005, 10:39 AM

  Authors

  • Erik Welch

    • Ohio State University

  • Kaden Hazzard

    • Ohio State University

  • John W. Wilkins

    • Ohio State University
    • Dept. of Physics, The Ohio State University, Columbus, OH 43210

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• Numerical Interpolation of Orbitals in Periodic Systems for Diffusion Monte Carlo Calculations

  ORAL

  March 23, 2005, 10:39 AM – March 23, 2005, 10:51 AM

  Authors

  • William D. Parker

  • Kevin P. Driver

  • Phillip R. Peterson

  • Richard G. Hennig

    • Ohio State University

  • John W. Wilkins

    • Ohio State University
    • Dept. of Physics, The Ohio State University, Columbus, OH 43210

  • Cyrus J. Umrigar

    • Cornell University
    • Cornell Theory Center, Cornell University, Ithaca, NY 14853

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• A rejection-free Monte Carlo method for the hard-disk system

  ORAL

  March 23, 2005, 10:51 AM – March 23, 2005, 11:03 AM

  Authors

  • Hiroshi Watanabe

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

  • Satoshi Yukawa

    • 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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• Optimal Ensemble Monte Carlo Simulations: Application to dense Lennard-Jones fluids

  ORAL

  March 23, 2005, 11:03 AM – March 23, 2005, 11:15 AM

  Authors

  • Simon Trebst

    • ETH Zurich

  • Matthias Troyer

    • ETH Zurich
    • ETH Z{\"u}rich

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