Computational Methods for Statistical Mechanics: Advances and Applications I

Presentations

• Parallel flat-histogram method for equilibrium and non-equilibrium problems

  ORAL · Invited

  March 18, 2022, 11:30 AM – March 18, 2022, 12:06 PM

  Publication: J. Zierenberg, "Parallel flat-histogram method for non-equilibrium processes", in preparation.
  F.P. Spitzner, J. Zierenberg, and W. Janke, "The droplet formation-dissolution transition in different ensembles: Finite-size scaling from two perspectives", Scipost Phys. 5, 062 (2018).
  N.G. Fytas, J. Zierenberg, P.E. Theodorakis, M. Weigel, W. Janke, and A. Malakis, "Universality from disorder in the random-bond Blume-Capel model", Phys. Rev. E 97, 040102(R) (2018).
  J. Gross, J. Zierenberg, M. Weigel, and W. Janke, "Massively parallel multicanonical simulations", Comput. Phys. Commun. 224, 387 (2018).
  J. Zierenberg, M. Marenz, and W. Janke, "Scaling properties of a parallel implementation of the multicanonical algorithm", Comput. Phys. Commun. 184, 1155 (2013).

  Presenters

  • Johannes Zierenberg

    • Max Planck Institute for Dynamics and Self-Organization

  Authors

  • Johannes Zierenberg

    • Max Planck Institute for Dynamics and Self-Organization

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• Microcanonical Inflection-Point Analysis of Phases for Semiflexible Polymers

  ORAL

  March 18, 2022, 12:06 PM – March 18, 2022, 12:18 PM

  Presenters

  • Dilimulati Aierken

    • Department of Physics and Astronomy, The University of Georgia
    • University of Georgia

  Authors

  • Dilimulati Aierken

    • Department of Physics and Astronomy, The University of Georgia
    • University of Georgia

  • Michael Bachmann

    • Department of Physics and Astronomy, The University of Georgia
    • Department of Physics and Astronomy, University of Georgia

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• Statistical Mechanics of Chemical Disorder and Magnetic Order in MnSb₂Te₄ and MnBi₂Te₄

  ORAL

  March 18, 2022, 12:18 PM – March 18, 2022, 12:30 PM

  Presenters

  • Markus Eisenbach

    • Oak Ridge National Lab

  Authors

  • Markus Eisenbach

    • Oak Ridge National Lab

  • Swarnava Ghosh

    • Oak Ridge National Lab

  • Maohua Du

    • Oak Ridge National Lab

  • Mina Yoon

    • Oak Ridge National Lab

  • Fernando A Reboredo

    • Oak Ridge National Lab

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• A graph theory-based statistical mechanics approach for nucleation of nano-porous materials

  ORAL

  March 18, 2022, 12:30 PM – March 18, 2022, 12:42 PM

  Presenters

  • Ajay Muralidharan

    • University of Wisconsin - Madison

  Authors

  • Ajay Muralidharan

    • University of Wisconsin - Madison

  • Xinyi Li

    • University of Wisconsin-Madison

  • J.R. Schmidt

    • University of Wisconsin-Madison

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• Testing and Usage of an Automated Multi-bead Iterative Boltzmann Inversion (IBI) Code

  ORAL

  March 18, 2022, 12:42 PM – March 18, 2022, 12:54 PM

  Presenters

  • Frederick R Phelan

    • National Institute of Standards and Technology

  Authors

  • Lilian C Johnson

    • National Institute of Standards and Technology
    • National Institute of Standards and Tech

  • Frederick R Phelan

    • National Institute of Standards and Technology

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• Fitting Hamiltonian Parameters with Bayesian Optimization of Numerical Simulations

  ORAL

  March 18, 2022, 12:54 PM – March 18, 2022, 1:06 PM

  Presenters

  • Matthew S Wilson

    • Los Alamos National Laboratory

  Authors

  • Matthew S Wilson

    • Los Alamos National Laboratory

  • Ying-Wai Li

    • Los Alamos National Laboratory

  • Kipton M Barros

    • Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • Sakib Matin

    • Boston University

  • Cole M Miles

    • Cornell University

  • Xiaojian Bai

    • Oak Ridge National Laboratory
    • Oak Ridge National Lab

  • Martin P Mourigal

    • Georgia Institute of Technology
    • Georgia Tech

  • Cristian Batista

    • University of Tennessee

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• Avoiding critical slowdown in models with SALR interactions

  ORAL

  March 18, 2022, 1:06 PM – March 18, 2022, 1:18 PM

  Presenters

  • Mingyuan Zheng

    • Duke University

  Authors

  • Mingyuan Zheng

    • Duke University

  • Marco Tarzia

    • Sorbonne Université

  • Patrick Charbonneau

    • Duke University

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• Asymptotic Error Analysis of the MBAR Equations

  ORAL

  March 18, 2022, 1:18 PM – March 18, 2022, 1:30 PM

  Presenters

  • Sherry Li

    • Stanford University

  Authors

  • Sherry Li

    • Stanford University

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• Some Numerical Issues in Polymer Density-Functional Theories for Tangent Hard-Sphere Chains

  ORAL

  March 18, 2022, 1:30 PM – March 18, 2022, 1:42 PM

  Presenters

  • Jiawei Zhang

    • School of Physics, Nankai University
    • Nankai University

  Authors

  • Jiawei Zhang

    • School of Physics, Nankai University
    • Nankai University

  • Baohui Li

    • School of Physics, Nankai University
    • Nankai University

  • Qiang Wang

    • Colorado State University

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• Loop-Cluster Coupling and Algorithm for Classical Statistical Models

  ORAL

  March 18, 2022, 1:42 PM – March 18, 2022, 1:54 PM

  Publication: PHYSICAL REVIEW LETTERS 125, 200603 (2020)

  Presenters

  • Lei Zhang

    • University of Michigan

  Authors

  • Lei Zhang

    • University of Michigan

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• Funnel Hopping Monte Carlo: Efficient Monte Carlo simulations for multi-funnel systems

  ORAL

  March 18, 2022, 1:54 PM – March 18, 2022, 2:06 PM

  Publication: Finkler, Jonas A., and Stefan Goedecker. "Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicity." The Journal of chemical physics 152.16 (2020): 164106.

  Presenters

  • Jonas A Finkler

    • University of Basel

  Authors

  • Jonas A Finkler

    • University of Basel

  • Stefan A C Goedecker

    • University of Basel

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• Langevin Dynamics Simulations of Dielectric Response of Correlated Materials

  ORAL

  March 18, 2022, 2:06 PM – March 18, 2022, 2:18 PM

  Presenters

  • Steven B Hancock

    • University of Georgia

  Authors

  • Steven B Hancock

    • University of Georgia

  • David P Landau

    • University of Georgia

  • Yohannes Abate

    • University of Georgia

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