Computational Methods for Statistical Mechanics I

Presentations

• Generalized-ensemble population annealing simulations

  ORAL · Invited

  March 16, 2026, 12:00 PM – March 16, 2026, 12:36 PM

  Publication: [1] L. Yu. Barash, M. Weigel, M. Borovský, W. Janke, and L. N. Shchur, GPU accelerated population annealing algorithm, Comput. Phys. Commun. 220, 341 (2017).
  
  [2] L. Y. Barash, M. Weigel, L. N Shchur, and W. Janke, Exploring first-order phase transitions with population annealing, Eur. Phys. J. Special Topics 226, 595 (2017).
  
  [3] L. Barash, J. Marshall, M. Weigel, and I. Hen, Estimating the Density of States of Frustrated Spin Systems, New J. Phys. 21, 073065 (2019).
  
  [4] M. Weigel, L. Barash, L. Shchur, and W. Janke, Understanding population annealing Monte Carlo simulations, Phys. Rev. E 103, 053301 (2021).
  
  [5] P. L. Ebert, D. Gessert, and M. Weigel, Weighted averages in population annealing: Analysis and general framework, Phys. Rev. E 106, 045303 (2022).
  
  [6] D. Gessert, W. Janke, and M. Weigel, Resampling schemes in population annealing: Numerical and theoretical results, Phys. Rev. E 108, 065309 (2023).

  Presenters

  • Martin Weigel

    • Tech Univ Chemnitz Zwickau

  Authors

  • Martin Weigel

    • Tech Univ Chemnitz Zwickau

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• GPU-Accelerated Monte Carlo Study of the 2D XY Model and the Berezinskii–Kosterlitz–Thouless Transition on Non-Square Lattices

  ORAL

  March 16, 2026, 12:36 PM – March 16, 2026, 12:48 PM

  Presenters

  • Benjamin E Himberg

    • University of Vermont

  Authors

  • Benjamin E Himberg

    • University of Vermont

  • Sanghita Sengupta

    • Brandeis University

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• Thermal and Disorder Effects in the One-Dimensional Long-Range Ising Model with Random Fields

  ORAL

  March 16, 2026, 12:48 PM – March 16, 2026, 1:00 PM

  Presenters

  • Abdulai Gassama

    • Brown University

  Authors

  • Abdulai Gassama

    • Brown University

  • Owen Tower

    • Brown University

  • Lijie Ding

    • Oak Ridge National Laboratory

  • Jonah Eick

    • Columbia University

  • Jan Tobochnik

    • Brown University

  • Robert A Pelcovits

    • Brown University

  • J. Michael Kosterlitz

    • Brown University

  • Xinsheng Sean Ling

    • Brown University

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• Investigating higher-order transitions of a flexible homopolymer with a substrate using the generalized microcanonical inflection-point analysis method

  ORAL

  March 16, 2026, 1:00 PM – March 16, 2026, 1:12 PM

  Presenters

  • Stephen G Thomas

    • University of Georgia

  Authors

  • Stephen G Thomas

    • University of Georgia

  • Michael Bachmann

    • University of Georgia

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• Exact critical temperature bounds for ferromagnetic two-dimensional Ising models

  ORAL

  March 16, 2026, 1:12 PM – March 16, 2026, 1:24 PM

  Presenters

  • Davidson N Joseph

    • Univ of Alberta

  Authors

  • Davidson N Joseph

    • Univ of Alberta

  • Igor Boettcher

    • Univ of Alberta

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• Machine Learning Identification of the Isotropic–Nematic Transition in the Lebwohl–Lasher Model

  ORAL

  March 16, 2026, 1:24 PM – March 16, 2026, 1:36 PM

  Presenters

  • Maninder Kaur

    • University of Georgia

  Authors

  • Maninder Kaur

    • University of Georgia

  • Aojie Xue

    • University of Georgia

  • David P Landau

    • University of Georgia

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• Optimal parallel acceleration of flat-histogram Monte Carlo sampling methods for atomistic simulation

  ORAL

  March 16, 2026, 1:36 PM – March 16, 2026, 1:48 PM

  Publication: H. J. Naguszewski et al. arXiv:2510.11562
  (https://arxiv.org/abs/2510.11562)

  Presenters

  • Hubert J Naguszewski

    • University of Warwick

  Authors

  • Hubert J Naguszewski

    • University of Warwick

  • Christopher D Woodgate

    • University of Bristol

  • David Quigley

    • University of Warwick

  View abstract →

• Deep Generative Learning of Magnetic Frustration in Artificial Spin Ice from Magnetic Force Microscopy Images

  ORAL

  March 16, 2026, 1:48 PM – March 16, 2026, 2:00 PM

  Publication: arXiv preprint arXiv:2507.17726

  Presenters

  • Arnab Neogi

    • Los Alamos National Laboratory (LANL)

  Authors

  • Arnab Neogi

    • Los Alamos National Laboratory (LANL)

  • Suryakant Mishra

    • Los Alamos National Laboratory (LANL)

  • Prasad Iyer

    • Sandia National Laboratory

  • Tzu-Ming Lu

    • Sandia National Laboratories

  • Ezra Bussmann

    • Sandia National Laboratories

  • Sergei Tretiak

    • Los Alamos National Laboratory (LANL)

  • Andrew C Jones

    • Los Alamos National Laboratory (LANL)

  • Jianxin Zhu

    • Los Alamos National Laboratory
    • Los Alamos National Laboratory (LANL)

  View abstract →

• Unified bottom-up coarse-graining through active subspace learning

  ORAL

  March 16, 2026, 2:00 PM – March 16, 2026, 2:12 PM

  Publication: https://doi.org/10.1101/2025.10.13.682174

  Presenters

  • Anna Wojnar

    • Colorado School of Mines

  Authors

  • Anna Wojnar

    • Colorado School of Mines

  • Stephen Pankavich

    • Colorado School of Mines

  • Alexander J Pak

    • Colorado School of Mines

  View abstract →

• Discovering state transitions in nonreciprocal living matter using topological flowscapes

  ORAL

  March 16, 2026, 2:12 PM – March 16, 2026, 2:24 PM

  Publication: "Topological flowscape reveals state transitions in nonreciprocal living matter" by H. Lee, E. Koskelo, S. Gokhale, J. Li, C. Fei, C.W. Liu, L. Lin, D.J. Skinner, J. Dunkel, and N. Fakhri is our manuscript in preparation.

  Presenters

  • EliseAnne C Koskelo

    • Harvard University

  Authors

  • EliseAnne C Koskelo

    • Harvard University

  • Hyunseok Lee

    • Massachusetts Institute of Technology

  • Shreyas Gokhale

    • Massachusetts Institute of Technology

  • Junang Li

    • Princeton University

  • Chenyi Fei

    • MiT

  • Chih-Wei Joshua Liu

    • Massachusetts Institute of Technology

  • Lisa Lin

    • Massachusetts Institute of Technology

  • Dominic J Skinner

    • Flatiron Institute
    • Northwestern University

  • Jorn Dunkel

    • Massachusetts Institute of Technology

  • Nikta Fakhri

    • Massachusetts Institute of Technology

  View abstract →

• Wavelet-Based Local Modulation and Non-Stationary Scaling Analysis of Multifractal Fields

  ORAL

  March 16, 2026, 2:24 PM – March 16, 2026, 2:36 PM

  Presenters

  • Mateusz M Polakowski

    • Faculty of Physics, University of Warsaw

  Authors

  • Mateusz M Polakowski

    • Faculty of Physics, University of Warsaw

  • Zbigniew R Struzik

    • University of Tokyo

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• Subcritical Coadsorption and Metastability of Methane–Carbon Dioxide Mixtures in Metal Organic Frameworks

  ORAL

  March 16, 2026, 2:36 PM – March 16, 2026, 2:48 PM

  Presenters

  • Anthony J Dorhauer

    • University of Missouri

  Authors

  • Anthony J Dorhauer

    • University of Missouri

  • Malgorzata Stankiewicz

    • Wroclaw University of Science and Technology

  • Bartosz Mazur

    • Wroclaw University of Science and Technology

  • Bogdan Kuchta

    • Wroclaw University of Science and Technology

  • Carlos Wexler

    • University of Missouri

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• First-Principles Design of Refractory and Two-Dimensional High-Entropy Materials.

  ORAL

  March 16, 2026, 2:48 PM – March 16, 2026, 3:00 PM

  Publication: Himani Yadav, A.C. Iloanya, & Ekuma, C.E., Structural, thermodynamic, mechanical, and electronic properties of HfNbTaTiMoX (X = V, Fe, Zr, Re) high-entropy alloys. Manuscript is ready to submit.

  Presenters

  • Himani Yadav

    • Lehigh University

  Authors

  • Himani Yadav

    • Lehigh University

  View abstract →