Electronic Structure: Quantum Monte Carlo

Presentations

• The Homogeneous Electron Gas: Beyond Fixed Nodes

  ORAL

  March 1, 2012, 2:30 PM – March 1, 2012, 2:42 PM

  Authors

  • James Shepherd

    • The University Chemical Laboratory, University of Cambridge

  • George Booth

    • The University Chemical Laboratory, University of Cambridge

  • Andreas Gruneis

    • The University Chemical Laboratory, University of Cambridge

  • Ali Alavi

    • The University Chemical Laboratory, University of Cambridge

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• Simulation of the Warm-Dense Homogeneous Electron Gas

  ORAL

  March 1, 2012, 2:42 PM – March 1, 2012, 2:54 PM

  Authors

  • Ethan Brown

    • University of Illinois at Urbana-Champaign

  • David Ceperley

    • University of Illinois at Urbana-Champaign
    • Department of Physics, University of Illinois, Urbana-Champaign, IL 61801

  • Jonathan Dubois

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory

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• Improved Full Configuration Interaction Monte Carlo for the Hubbard Model

  ORAL

  March 1, 2012, 2:54 PM – March 1, 2012, 3:06 PM

  Authors

  • Hitesh J. Changlani

    • Cornell University

  • Adam Holmes

    • Laboratory of Atomic and Solid State Physics, Cornell University
    • Cornell University

  • Frank Petruzielo

    • Laboratory of Atomic and Solid State Physics, Cornell University
    • Cornell University

  • Garnet Chan

    • Cornell University

  • Christopher L. Henley

    • Cornell Univ.
    • Cornell University
    • Department of Physics, Cornell University

  • Cyrus J. Umrigar

    • Cornell University

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• Semi-stochastic full configuration interaction quantum Monte Carlo

  ORAL

  March 1, 2012, 3:06 PM – March 1, 2012, 3:18 PM

  Authors

  • Adam Holmes

    • Laboratory of Atomic and Solid State Physics, Cornell University
    • Cornell University

  • Frank Petruzielo

    • Laboratory of Atomic and Solid State Physics, Cornell University
    • Cornell University

  • Mihir Khadilkar

    • Laboratory of Atomic and Solid State Physics, Cornell University

  • Hitesh Changlani

    • Laboratory of Atomic and Solid State Physics, Cornell University

  • M.P. Nightingale

    • Department of Physics, University of Rhode Island

  • C.J. Umrigar

    • Laboratory of Atomic and Solid State Physics, Cornell University

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• Excited state calculations in solids by auxiliary-field quantum Monte Carlo

  ORAL

  March 1, 2012, 3:18 PM – March 1, 2012, 3:30 PM

  Authors

  • Fengjie Ma

    • Dept. of Physics, College of William \& Mary

  • Shiwei Zhang

    • Dept. of Physics, College of William \& Mary

  • Henry Krakauer

    • Dept. of Physics, College of William \& Mary

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• Frozen core method in auxiliary-field quantum Monte Carlo

  ORAL

  March 1, 2012, 3:30 PM – March 1, 2012, 3:42 PM

  Authors

  • Wirawan Purwanto

    • Department of Physics, College of William and Mary, Williamsburg, VA
    • College of William and Mary

  • Shiwei Zhang

    • Department of Physics, College of William and Mary, Williamsburg, VA
    • College of William and Mary
    • department of physcis,college of william and mary

  • Henry Krakauer

    • Department of Physics, College of William and Mary, Williamsburg, VA

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• Tests on novel pseudo-potentials generated from diffusion Monte Carlo data.

  ORAL

  March 1, 2012, 3:42 PM – March 1, 2012, 3:54 PM

  Authors

  • Fernando Reboredo

    • Oak Ridge National Laboratory

  • Randolph Hood

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory

  • Michal Bajdich

    • Lawrence Berkeley National Laboratory
    • JCAP-North, LBL, Berkeley, CA 94720

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• A diffusion Monte Carlo study of sign problems from non-local pseudopotentials

  ORAL

  March 1, 2012, 3:54 PM – March 1, 2012, 4:06 PM

  Authors

  • Norm Tubman

    • University of Illinois at Urbana-Champaign

  • Miguel A. Morales

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Laboratory, Livermore, California 94550, USA
    • LLNL

  • Jonathan Dubois

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory

  • Randolph Hood

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory

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• Variational and diffusion quantum Monte Carlo methods for spin-orbit interactions in heavy element systems

  ORAL

  March 1, 2012, 4:06 PM – March 1, 2012, 4:18 PM

  Authors

  • Lubos Mitas

    • North Carolina State University
    • Physics Department, North Carolina State University
    • Dept. of Physics, North Carolina State University

  • Rene Derian

    • North Carolina State University

  • Shi Guo

    • North Carolina State University

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• Progress in exact treatment of fermions at finite temperature

  ORAL

  March 1, 2012, 4:18 PM – March 1, 2012, 4:30 PM

  Authors

  • Jonathan L. DuBois

    • Lawrence Livermore National Lab

  • Berni J. Alder

    • Lawrence Livermore National Lab

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• An energy density estimator for quantum Monte Carlo calculations

  ORAL

  March 1, 2012, 4:30 PM – March 1, 2012, 4:42 PM

  Authors

  • Jaron Krogel

    • University of Illinois at Urbana-Champaign

  • Jeongnim Kim

    • Oak Ridge National Lab
    • University of Illinois at Urbana-Champaign; Oak Ridge National Laboratory
    • University of Illinois at Urbana-Champaign and Oak Ridge National Laboratory
    • Oak Ridge National Laboratory

  • David Ceperley

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

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• Metal-Insulator Transition in Low Density Atomic Hydrogen

  ORAL

  March 1, 2012, 4:42 PM – March 1, 2012, 4:54 PM

  Authors

  • Jeremy McMinis

    • University of Illinois

  • Jeongnim Kim

    • Oak Ridge National Lab
    • University of Illinois at Urbana-Champaign; Oak Ridge National Laboratory
    • University of Illinois at Urbana-Champaign and Oak Ridge National Laboratory
    • Oak Ridge National Laboratory

  • David Ceperley

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

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• Quantum Monte Carlo of ThO2

  ORAL

  March 1, 2012, 4:54 PM – March 1, 2012, 5:06 PM

  Authors

  • Shuming Hu

    • Physics Department, North Carolina State University

  • Lubos Mitas

    • Physics Department, North Carolina State University

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• Quantum Monte Carlo for the Spectroscopy of Core Excited States

  ORAL

  March 1, 2012, 5:06 PM – March 1, 2012, 5:18 PM

  Authors

  • Dmitry Zubarev

    • UC Berkeley

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• Density Functional Monte Carlo: an efficient way to calculate the ground state density profile of nanostructures

  ORAL

  March 1, 2012, 5:18 PM – March 1, 2012, 5:30 PM

  Authors

  • Fons Brosens

    • University of Antwerpen
    • Universiteit Antwerpen

  • Katrijn Putteneers

    • University of Antwerpen
    • Universiteit Antwerpen

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