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, 12:30 PM – March 18, 2022, 1:06 PM

  Publication: J. Zierenberg, "Parallel flat-histogram method for non-equilibrium processes", in preparation.<br>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).<br>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). <br>J. Gross, J. Zierenberg, M. Weigel, and W. Janke, "Massively parallel multicanonical simulations", Comput. Phys. Commun. 224, 387 (2018).<br>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, 1:06 PM – March 18, 2022, 1:18 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, 1:18 PM – March 18, 2022, 1:30 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, 1:30 PM – March 18, 2022, 1:42 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, 1:42 PM – March 18, 2022, 1:54 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, 1:54 PM – March 18, 2022, 2:06 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, 2:06 PM – March 18, 2022, 2:18 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, 2:18 PM – March 18, 2022, 2:30 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, 2:30 PM – March 18, 2022, 2:42 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, 2:42 PM – March 18, 2022, 2:54 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, 2:54 PM – March 18, 2022, 3:06 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, 3:06 PM – March 18, 2022, 3:18 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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