Classical and Quantum Monte Carlo II

Presentations

• A Quantum Monte Carlo Study of Molecular Titanium Systems

  ORAL

  March 16, 2010, 5:30 PM – March 16, 2010, 5:42 PM

  Authors

  • Todd D. Beaudet

    University of Illinois at Urbana-Champaign

  • Jeongnim Kim

    University of Illinois at Urbana-Champaign

  • Kenneth Esler

    University of Illinois at Urbana-Champaign

  • Richard M. Martin

    University of Illinois at Urbana-Champaign

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• ABSTRACT WITHDRAWN

  March 16, 2010, 5:42 PM – March 16, 2010, 5:54 PM

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• High Pressure Phase Transitions in FeO from Quantum Monte Carlo

  ORAL

  March 16, 2010, 5:54 PM – March 16, 2010, 6:06 PM

  Authors

  • Luke Shulenburger

    Carnegie Institution of Washington, Geophysical Laboratory, Carnegie Institution of Washington

  • R.E. Cohen

    Carnegie Institution, 5251 Broad Branch Road NW, Washington, D.C., 20015,USA, Carnegie Institution of Washington, Geophysical Laboratory, Carnegie Institution of Washington

  • Ken Esler

    University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois at Urbana-Champaign

  • Jeongnim Kim

    University of Illinois at Urbana-Champaign, National Center for Supercomputing Applications, National Center for Supercomputing Applications, UIUC, Urbana, IL

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• Path Integral Monte Carlo calculation of hydrogen Hugoniot

  ORAL

  March 16, 2010, 6:06 PM – March 16, 2010, 6:18 PM

  Authors

  • Saad Khairallah

    Lawrence Livermore National Laboratory

  • John Shumway

    Arizona State University

  • Erik Draeger

    Lawrence Livermore National Laboratory

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• Quantum Monte Carlo calculations of bulk Li

  ORAL

  March 16, 2010, 6:18 PM – March 16, 2010, 6:30 PM

  Authors

  • Kevin Rasch

    North Carolina State University

  • Lubos Mitas

    North Carolina State University, Physics Department, North Carolina State University

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• Diffusion quantum Monte Carlo study of Silicon Carbide

  ORAL

  March 16, 2010, 6:30 PM – March 16, 2010, 6:42 PM

  Authors

  • Jeremy McMinis

    University of Illinois at Urbana Champaign

  • Jeongnim Kim

    University of Illinois at Urbana-Champaign, National Center for Supercomputing Applications, National Center for Supercomputing Applications, UIUC, Urbana, IL

  • F.A. Reboredo

    Oak Ridge National Laboratory, Materials Science and Technology Division, ORNL, Oak Ridge, TN, Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831

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• Electronic structure of azobenzene: ground and first excited singlet states

  ORAL

  March 16, 2010, 6:42 PM – March 16, 2010, 6:54 PM

  Authors

  • Matus Dubecky

    Inst. Phys., Slovak Acad. Sci

  • Rene Derian

    Inst. Phys., Slovak Acad. Sci

  • Lubos Mitas

    North Carolina State University

  • Ivan Stich

    Inst. Phys., Slovak Acad. Sci., Inst. Phys., Slovak Acad. Sci

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• Release Node Calculation of Unpolarized Atomic Fermi Gas

  ORAL

  March 16, 2010, 6:54 PM – March 16, 2010, 7:06 PM

  Authors

  • Xin Li

    Physics Department, North Carolina State University

  • Jindrich Kolorenc

    Physics Department, North Carolina State University

  • Lubos Mitas

    North Carolina State University, Physics Department, North Carolina State University

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• Study of pseudopotential errors in transition metal molecules:implications for quantum Monte Carlo

  ORAL

  March 16, 2010, 7:06 PM – March 16, 2010, 7:18 PM

  Authors

  • Minyi Zhu

    North Carolina State University

  • Lubos Mitas

    North Carolina State University

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• Improved Calculation of Vibrational Mode Lifetimes in Anharmonic Solids

  ORAL

  March 16, 2010, 7:18 PM – March 16, 2010, 7:30 PM

  Authors

  • Murray Daw

    Clemson University

  • Doyl Dickel

    Clemson University

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• Dipole moment of ultra-cold polar molecules:A quantum Monte Carlo study

  ORAL

  March 16, 2010, 7:30 PM – March 16, 2010, 7:42 PM

  Authors

  • Shi Guo

    North Carolina State University

  • Lubos Mitas

    North Carolina State University, Physics Department, North Carolina State University

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• Using Monte Carlo Simulations to Develop an Understanding of the Hyperpolarizability Near the Fundamental Limit

  ORAL

  March 16, 2010, 7:42 PM – March 16, 2010, 7:54 PM

  Authors

  • Shoresh Shafei

    Washington State University

  • Mark C. Kuzyk

    University of Oregon

  • Mark Kuzyk

    Dept. of Physics, Washington State University, Pullman, WA 99164-2814, Department of Physics and Astronomy, Washington State University, Pullman, Wa, 99164-2814, Washington State University

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• Continuum quantum Monte Carlo simulations of solids on GPUs

  ORAL

  March 16, 2010, 7:54 PM – March 16, 2010, 8:06 PM

  Authors

  • Ken Esler

    University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois at Urbana-Champaign

  • Jeongnim Kim

    University of Illinois at Urbana-Champaign, National Center for Supercomputing Applications, National Center for Supercomputing Applications, UIUC, Urbana, IL

  • David Ceperley

    Dept. of Physics, UIUC; NCSA, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA, University of Illinois at Urbana-Champaign

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