Classical Monte Carlo and Molecular Dynamics Methods

Presentations

• Quantum-Classical Adaptive Coupling in Grand-Canonical like Adaptive Resolution Simulations

  ORAL

  March 2, 2015, 2:30 PM – March 2, 2015, 2:42 PM

  Authors

  • Animesh Agarwal

    • Institute for Mathematics, Arnimallee 6, D-14195, Freie Universitat, Berlin, Germany

  • Luigi Delle Site

    • Institute for Mathematics, Arnimallee 6, D-14195, Freie Universitat, Berlin, Germany

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• Efficient cluster Monte Carlo algorithm for Ising spin glasses in more than two space dimensions

  ORAL

  March 2, 2015, 2:42 PM – March 2, 2015, 2:54 PM

  Authors

  • Andrew J. Ochoa

    • Texas A\&M University
    • Department of Physics and Astronomy, Texas A\&M University

  • Zheng Zhu

    • Texas A\&M University
    • Department of Physics and Astronomy, Texas A\&M University

  • Helmut G. Katzgraber

    • Texas A\&M University
    • Department of Physics and Astronomy, Texas A\&M University

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• A new class of scalable parallel pseudorandom number generators based on Pohlig-Hellman exponentiation ciphers

  ORAL

  March 2, 2015, 2:54 PM – March 2, 2015, 3:06 PM

  Authors

  • Paul Beale

    • University of Colorado Boulder

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• Crossover behavior of the thermal conductance and Kramers' transition rate theory

  ORAL

  March 2, 2015, 3:06 PM – March 2, 2015, 3:18 PM

  Authors

  • Subin Sahu

    • Department of Physics, Oregon State University, Corvallis OR

  • Kirill Velizhanin

    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos National Laboratory
    • Theoretical Division, Las Alamos National Lab, Los Alamos NM

  • Chih-Chun Chien

    • School of Natural sciences, Unicersity of California, Merced CA

  • Yonatan Dubi

    • Department of Chemistry and the Ilse Katz Center for Nano-Science, Ben-Gurion University
    • Ben-Gurion University of the Negev
    • Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel
    • Department of Chemistry, Ben-Gurion University of Negev, Israel

  • Michael Zwolak

    • National Institute of Standards and Technology, Gaithersburg MD

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• Acclerated rare event sampling

  ORAL

  March 2, 2015, 3:18 PM – March 2, 2015, 3:30 PM

  Authors

  • David Yevick

    • University of Waterloo

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• The Transition Matrix in Flat-histogram Sampling

  ORAL

  March 2, 2015, 3:30 PM – March 2, 2015, 3:42 PM

  Authors

  • Gregory Brown

    • Florida State University

  • M. Eisenbach

    • Oak Ridge National Laboratory

  • Y. W. Li

    • Oak Ridge National Laboratory

  • G. M. Stocks

    • Oak Ridge National Laboratory

  • D. M. Nicholson

    • University of North Carolina Asheville

  • Kh. Odbadrakh

    • University of Tennessee

  • P. A. Rikvold

    • Florida State University

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• ABSTRACT WITHDRAWN

  March 2, 2015, 3:42 PM – March 2, 2015, 3:54 PM

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• A More Direct Approach to Finding Phase Transitions in Realistic Alloy Models

  ORAL

  March 2, 2015, 3:54 PM – March 2, 2015, 4:06 PM

  Authors

  • Derek W. Ostrom

    • Brigham Young University

  • Lance J. Nelson

    • Brigham Young University - Idaho

  • Conrad W. Rosenbrock

    • Brigham Young Univ - Provo
    • Department of Physics and Astronomy Brigham Young University
    • Department of Physics and Astronomy, Brigham Young University Provo
    • Brigham Young University

  • Gus L.W. Hart

    • Brigham Young Univ - Provo
    • Department of Physics and Astronomy Brigham Young University
    • Brigham Young University, Provo UT
    • Department of Physics and Astronomy, Brigham Young University Provo
    • Department of Physics and Astronomy, Brigham Young University, Provo, UT 84602
    • Brigham Young University

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• Nonstandard Finite-Size Scaling at First-Order Phase Transitions

  ORAL

  March 2, 2015, 4:06 PM – March 2, 2015, 4:18 PM

  Authors

  • Wolfhard Janke

    • Institute for Theoretical Physics, University of Leipzig, Postfach 100920, 04009 Leipzig, Germany

  • Marco Mueller

    • Institute for Theoretical Physics, University of Leipzig, Postfach 100920, 04009 Leipzig, Germany

  • Desmond A. Johnston

    • Department of Mathematics, School of Mathematical and Computer Sciences, Heriot-Watt University, Edinburgh EH14 4AS, Scotland

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• Nontrivial nonequilibrium critical relaxation in cluster algorithms and universal nonequilibrium-to-equilibrium scaling procedure

  ORAL

  March 2, 2015, 4:18 PM – March 2, 2015, 4:30 PM

  Authors

  • Yoshihiko Nonomura

    • Computational Materials Science Unit, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan

  • Yusuke Tomita

    • College of Engineering, Shibaura Institute of Technology, Saitama 337-8570, Japan

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• Size Effect of YSZ Nanoparticles on Sintering of Ni Nanoparticles in Ni/YSZ Anode of Solid Oxide Fuel Cell via Multi-Nanoparticle Molecular Dynamics Simulation

  ORAL

  March 2, 2015, 4:30 PM – March 2, 2015, 4:42 PM

  Authors

  • Jingxiang Xu

    • Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University

  • Yuji Higuchi

    • Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University

  • Nobuki Ozawa

    • Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University

  • Momoji Kubo

    • Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University

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• Solvent Repacking Monte Carlo: Application to Phase Behavior of Hard-Disk Mixtures

  ORAL

  March 2, 2015, 4:42 PM – March 2, 2015, 4:54 PM

  Authors

  • James Kindt

    • Emory University

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• A method for efficient structural simulation of carbon nanostructures and its application to irradiated graphene nanoribbons

  ORAL

  March 2, 2015, 4:54 PM – March 2, 2015, 5:06 PM

  Authors

  • Colin Daniels

    • Rensselaer Polytech Inst

  • Zachary Bullard

    • Rensselaer Polytech Inst

  • Eduardo Costa Gir\~ao

    • Universidade Federal do Piau\'i

  • Vincent Meunier

    • Rensselaer Polytechnic Institute, Department of Physics, Applied Physics, and Astronomy
    • Rensselaer Polytechnic Institute
    • Rensselaer Polytech Inst
    • RPI

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• ABSTRACT WITHDRAWN

  March 2, 2015, 5:06 PM – March 2, 2015, 5:18 PM

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• Molecular dynamics simulations of nanoscale Al structures for energetic formulations

  ORAL

  March 2, 2015, 5:18 PM – March 2, 2015, 5:30 PM

  Authors

  • N. Scott Weingarten

    • U. S. Army Research Laboratory

  • Michael Zachariah

    • University of Maryland

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