Computational Methods: Quantum Monte Carlo

Presentations

• ABSTRACT WITHDRAWN

  March 17, 2009, 2:30 PM – March 17, 2009, 2:42 PM

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• PIMC Simulation of Thermal Dissociation of Dipositronium

  ORAL

  March 17, 2009, 2:42 PM – March 17, 2009, 2:54 PM

  Authors

  • Ilkka Kyl\"anp\"a\"a

    • Department of Physics, Tampere University of Technology, P.O.Box 692, FI-33101 Tampere, Finland

  • Tapio Rantala

    • Department of Physics, Tampere University of Technology, P.O.Box 692, FI-33101 Tampere, Finland

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• Convergence of the variational parameter without convergence of the energy in Quantum Monte Carlo (QMC) calculations using the Stochastic Gradient Approximation

  ORAL

  March 17, 2009, 2:54 PM – March 17, 2009, 3:06 PM

  Authors

  • Daniel Nissenbaum

  • Hsin Lin

  • Bernardo Barbiellini

  • Arun Bansil

    • Northeastern U.

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• Effective one-body potential fitted for many-body interactions associated with a Jastrow function: application to the quantum Monte Carlo calculations

  ORAL

  March 17, 2009, 3:06 PM – March 17, 2009, 3:18 PM

  Authors

  • Naoto Umezawa

    • National Institute for Materials Science

  • Brian Austin

    • University of California, Berkeley

  • William A. Lester, Jr

    • University of California, Berkeley

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• Improved Algorithm for Calculating Observables in Diffusion and Reptation Quantum Monte Carlo

  ORAL

  March 17, 2009, 3:18 PM – March 17, 2009, 3:30 PM

  Authors

  • Jeremy McMinis

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

  • David Ceperley

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

  • Carlo Pierleoni

    • Physics Department, University of L'Aquila

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• Analysis of fixed-nodes errors in quantum Monte Carlo calculations of atoms and molecules

  ORAL

  March 17, 2009, 3:30 PM – March 17, 2009, 3:42 PM

  Authors

  • Shuming Hu

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

  • Kevin Rasch

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

  • Minyi Zhu

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

  • Michal Bajdich

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

  • Lubos Mitas

    • CHiPS, Department of Physics, NCSU, Raleigh, NC
    • Dept. of Phys., NCSU, Raleigh
    • Center for High Performance Simulation, Department of Physics, North Carolina State University

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• Geometry of fermion nodes and its impact on many-body effects in quantum Monte Carlo

  ORAL

  March 17, 2009, 3:42 PM – March 17, 2009, 3:54 PM

  Authors

  • Lubos Mitas

    • North Carolina State University

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• Hybrid DFT orbitals as a means of reduction of fixed-node errors in diffusion Monte Carlo simulations

  ORAL

  March 17, 2009, 3:54 PM – March 17, 2009, 4:06 PM

  Authors

  • Jindrich Kolorenc

    • North Carolina State University

  • Shuming Hu

    • North Carolina State University

  • Lubos Mitas

    • North Carolina State University

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• Geometry optimization using Quantum Monte Carlo

  ORAL

  March 17, 2009, 4:06 PM – March 17, 2009, 4:18 PM

  Authors

  • Lucas Wagner

    • University of California, Berkeley

  • Jeffrey Grossman

    • University of California, Berkeley

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• Quantum Monte Carlo calculations of the energy-level alignment at organic-inorganic hybrid interfaces

  ORAL

  March 17, 2009, 4:18 PM – March 17, 2009, 4:30 PM

  Authors

  • Zhigang Wu

    • University of California, Berkeley
    • University of California at Berkeley

  • Yosuke Kanai

    • University of California at Berkeley
    • University of California, Berkeley

  • Jeff Grossman

    • Universtiy of California Berkeley
    • University of California, Berkeley
    • University of California at Berkeley

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• QMC Study of Optical Switching of Azobenzene Molecule

  ORAL

  March 17, 2009, 4:30 PM – March 17, 2009, 4:42 PM

  Authors

  • Rene Derian

    • Inst. of Phys., Slovak Academy of Sciences, Bratislava, Slovakia

  • Matus Dubecky

    • Inst. of Phys., Slovak Academy of Sciences, Bratislava, Slovakia

  • Lubos Mitas

    • CHiPS, Department of Physics, NCSU, Raleigh, NC
    • Dept. of Phys., NCSU, Raleigh
    • Center for High Performance Simulation, Department of Physics, North Carolina State University

  • Ivan Stich

    • Inst. of Phys., Slovak Academy of Sciences, Bratislava, Slovakia

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• Multideterminant quantum Monte Carlo calculations of benzene dimers

  ORAL

  March 17, 2009, 4:42 PM – March 17, 2009, 4:54 PM

  Authors

  • Richard G. Hennig

    • Cornell University, Department of Materials Science and Engineering

  • Kathleen A. Schwarz

    • Cornell University, Department of Materials Science and Engineering

  • Cyrus Umrigar

    • Cornell University, Department of Physics

  • Julien Toulouse

    • Universite Pierre et Marie Curie, France

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• A Quantum Monte Carlo investigation of dispersion interactions in graphite

  ORAL

  March 17, 2009, 4:54 PM – March 17, 2009, 5:06 PM

  Authors

  • Leonardo Spanu

    • UC Davis Chemistry Department, Davis CA

  • Giulia Galli

    • UC Davis
    • University of California Davis
    • Department of Chemistry, University of California, Davis
    • UC Davis, Chemistry Department, Davis CA
    • University of California, Davis

  • Sandro Sorella

    • SISSA and DEMOCRITOS, Via Beirut n.2 34014, Trieste, Italy.
    • SISSA-ISAS, Trieste Italy

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• Auxiliary-Field Quantum Monte Carlo Studies of Pressure-Induced Phase Transitions in Silicon and MnO

  ORAL

  March 17, 2009, 5:06 PM – March 17, 2009, 5:18 PM

  Authors

  • Wirawan Purwanto

    • College of William and Mary

  • Henry Krakauer

    • College of William \& Mary
    • College of William and Mary

  • Eric J. Walter

    • College of William \& Mary
    • College of William and Mary
    • The College of William snd Mary

  • Shiwei Zhang

    • College of William and Mary

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• A Quantum Monte Carlo Study of Molecular Titanium Dihydride$^\dag$

  ORAL

  March 17, 2009, 5:18 PM – March 17, 2009, 5:30 PM

  Authors

  • Todd D. Beaudet

    • University of Illinois at Urbana-Champaign

  • Jeongnim Kim

    • University of Illinois at Urbana-Champaign, NCSA
    • University of Illinois at Urbana-Champaign

  • Kenneth Esler

    • University of Illinois at Urbana-Champaign

  • Richard M. Martin

    • University of Illinois, Urbana
    • University of Illinois at Urbana-Champaign

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