Computational Methods for Statistical Mechanics I

Presentations

• Generalized-ensemble population annealing simulations

  Invited-In-person · 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

    • Chemnitz University of Technology

  Authors

  • Martin Weigel

    • Chemnitz University of Technology

  View abstract →

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

  Oral-In-person

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

  Presenters

  • Benjamin Himberg

    • University of Vermont

  Authors

  • Benjamin Himberg

    • University of Vermont

  • Sanghita Sengupta

    • Brandeis University

  View abstract →

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

  Oral-In-person

  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

  • Jan Tobochnik

  • Robert Pelcovits

  • J. Michael Kosterlitz

  • Xinsheng Sean Ling

  View abstract →

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

  Oral-In-person

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

  Presenters

  • Stephen Thomas

    • University of Georgia

  Authors

  • Stephen Thomas

    • University of Georgia

  • Michael Bachmann

  View abstract →

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

  Oral-In-person

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

  Presenters

  • Davidson Joseph

    • University of Alberta

  Authors

  • Davidson Joseph

    • University of Alberta

  • Igor Boettcher

    • Univ of Alberta

  View abstract →

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

  Oral-In-person

  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

  • David Landau

    • University of Georgia

  View abstract →

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

  Oral-In-person

  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 Naguszewski

    • University of Warwick

  Authors

  • Hubert Naguszewski

    • University of Warwick

  • Christopher Woodgate

    • University of Bristol

  • David Quigley

  View abstract →

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

  Oral-In-person

  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

  • Tzu-Ming Lu

    • Sandia National Laboratories

  • Ezra Bussmann

    • Sandia National Laboratories

  • Sergei Tretiak

    • Los Alamos National Laboratory (LANL)

  • Andrew Jones

    • Los Alamos National Laboratory (LANL)

  • Jian-Xin Zhu

    • Los Alamos National Laboratory (LANL)

  View abstract →

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

  Oral-In-person

  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

  • Alexander Pak

  View abstract →

• Discovering state transitions in nonreciprocal living matter using topological flowscapes

  Oral-In-person

  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 Koskelo

    • Harvard University

  Authors

  • EliseAnne 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 Skinner

    • Flatiron Institute

  • 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-In-person

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

  Presenters

  • Mateusz Polakowski

    • University of Warsaw

  Authors

  • Mateusz Polakowski

    • University of Warsaw

  • Zbigniew Struzik

  View abstract →

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

  Oral-In-person

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

  Presenters

  • Anthony Dorhauer

    • University of Missouri

  Authors

  • Anthony Dorhauer

    • University of Missouri

  • Malgorzata Stankiewicz

  • Bartosz Mazur

  • Bogdan Kuchta

  • Carlos Wexler

    • University of Missouri

  View abstract →

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

  Oral-In-person

  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 →