Classical and Quantum Monte Carlo

Presentations

• Steps beyond the fixed-phase approximation in diffusion Monte Carlo

  ORAL

  March 23, 2011, 2:30 PM – March 23, 2011, 2:42 PM

  Authors

  • Fernando Reboredo

    • MSTD, ORNL, Oak Ridge, TN 37831
    • Oak Ridge National Laboratory

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• Understanding framework flexibility of periodic structures by Monte Carlo simulation

  ORAL

  March 23, 2011, 2:42 PM – March 23, 2011, 2:54 PM

  Authors

  • An Ghysels

    • University of California - Berkeley

  • Veronique Van Speybroeck

    • Center for Molecular Modeling

  • Michel Waroquier

    • Center for Molecular Modeling

  • Berend Smit

    • University of California - Berkeley
    • University of California, Berkeley and LBNL

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• Quantum Monte Carlo studies of solvated systems

  ORAL

  March 23, 2011, 2:54 PM – March 23, 2011, 3:06 PM

  Authors

  • Kathleen Schwarz

    • Cornell University, Department of Chemistry

  • Kendra Letchworth Weaver

    • Cornell University
    • Cornell University, Department of Physics

  • T.A. Arias

    • Cornell University
    • Cornell University, Department of Physics

  • R. Hennig

    • Cornell University
    • Cornell University, Department of Materials Science and Engineering
    • Department of Materials Science and Engineering, Cornell University

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• Fast evaluation of multideterminant wavefunctions in quantum Monte Carlo

  ORAL

  March 23, 2011, 3:06 PM – March 23, 2011, 3:18 PM

  Authors

  • Miguel A. Morales

    • LLNL

  • Bryan K. Clark

    • Princeton

  • Jeremy McMinis

    • UIUC

  • Jeongnim Kim

    • University of Illinois at Urbana-Champaign
    • University of Illinois and NCSA
    • UIUC

  • Gustavo E. Scuseria

    • Rice University
    • Rice Univ.
    • Department of Chemistry, Rice University

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• ABSTRACT WITHDRAWN

  March 23, 2011, 3:18 PM – March 23, 2011, 3:30 PM

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• Wave Function Optimization in QMCPACK

  ORAL

  March 23, 2011, 3:30 PM – March 23, 2011, 3:42 PM

  Authors

  • Jeremy McMinis

    • University of Illinois and NCSA

  • Miguel A. Morales

    • LLNL

  • Jeongnim Kim

    • University of Illinois at Urbana-Champaign
    • University of Illinois and NCSA
    • UIUC

  • David Ceperley

    • Dept. of Physics, U. of Illinois at Urbana-Champaign
    • Department of Physics, University of Illinois Urbana-Champaign
    • University of Illinois and NCSA
    • University of Illinois at Urbana-Champaign
    • Department of Physics, University of Illinois, Urbana-Champaign, IL 61801

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• Testing of He-core pseudopotentials for 3d elements in quantum Monte Carlo

  ORAL

  March 23, 2011, 3:42 PM – March 23, 2011, 3:54 PM

  Authors

  • Minyi Zhu

    • North Carolina State University

  • Lubos Mitas

    • North Carolina State University

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• Spin-orbit interaction in quantum Monte Carlo

  ORAL

  March 23, 2011, 3:54 PM – March 23, 2011, 4:06 PM

  Authors

  • Lubos Mitas

    • Dept. of Physics, North Carolina State University, Raleigh, 27695, U.S.A.
    • North Carolina State University

  • Rene Derian

    • Inst. of Physics, Slovak Academy of Sciences, Bratislava, Slovakia
    • Institute of Physics, Slovak Academy of Sciences

  • Shi Guo

    • North Carolina State University

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• A quantum Monte Carlo study of molecular systems with heavy elements

  ORAL

  March 23, 2011, 4:06 PM – March 23, 2011, 4:18 PM

  Authors

  • Shi Guo

    • North Carolina State University

  • Kevin Rasch

    • North Carolina State University

  • Lubos Mitas

    • North Carolina State University

  • Enrique Batista

    • Los Alamos National Laboratory

  • Richard Martin

    • Los Alamos National laboratory

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• Fixed-Node Errors in Diffusion Monte Carlo Study of Li Molecular and Solid Systems

  ORAL

  March 23, 2011, 4:18 PM – March 23, 2011, 4:30 PM

  Authors

  • Kevin Rasch

    • North Carolina State University

  • Lubos Mitas

    • North Carolina State University

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• Comparison of the Angular Dependence of Monte Carlo Particle Transport Modeling Software

  ORAL

  March 23, 2011, 4:30 PM – March 23, 2011, 4:42 PM

  Authors

  • Jeff Chancellor

    • National Space Biomedical Research Institute

  • Stephen Guetersloh

    • Texas A\&M University

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• A Quantum Monte Carlo study of Hydrogen Adsorption on Carbon and Transition Metal Systems

  ORAL

  March 23, 2011, 4:42 PM – March 23, 2011, 4:54 PM

  Authors

  • Todd D. Beaudet

    • University of Illinois at Urbana-Champaign, Presently U. S. Army Research Laboratory

  • Jeongnim Kim

    • University of Illinois at Urbana-Champaign
    • University of Illinois and NCSA
    • UIUC

  • Richard M. Martin

    • University of Illinois at Urbana-Champaign

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• Release-Node quantum Monte Carlo studies for molecules

  ORAL

  March 23, 2011, 4:54 PM – March 23, 2011, 5:06 PM

  Authors

  • Norm Tubman

    • Northwestern University

  • Jonathan Dubois

    • Lawrence Livermore National Lab

  • Randolph Hood

    • Lawrence Livermore National Lab

  • Berni Alder

    • Lawrence Livermore National Lab

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• Melting transition of Lennard-Jones particles in two dimensions

  ORAL

  March 23, 2011, 5:06 PM – March 23, 2011, 5:18 PM

  Authors

  • Keola Wierschem

    • Nanyang Technological University

  • Efstratios Manousakis

    • Florida State University and University of Athens
    • Florida State University; University of Athens, Greece

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• Micro-canonical Monte Carlo study of spin wave excitations in 2D XY model

  ORAL

  March 23, 2011, 5:18 PM – March 23, 2011, 5:30 PM

  Authors

  • Smita Ota

    • Institute of Mathematics and Applications, Bhubaneswar 751022

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