Computational Methods for Statistical Mechanics: Advances and Applications - II

Presentations

• Efficient Simulation of Self-Avoiding Walks

  Invited

  March 18, 2021, 4:00 PM – March 18, 2021, 4:36 PM

  Presenters

  • Nathan Clisby

    Swinburne Univ of Tech

  Authors

  • Nathan Clisby

    Swinburne Univ of Tech

  View abstract →

• Deriving LBM Collision Operator using the Coarse-Graining MDLG Approach

  ORAL

  March 18, 2021, 4:36 PM – March 18, 2021, 4:48 PM

  Presenters

  • Aleksandra Pachalieva

    Los Alamos National Laboratory

  Authors

  • Aleksandra Pachalieva

    Los Alamos National Laboratory

  • Alexander Wagner

    Physics, North Dakota State University, North Dakota State University, Department of Physics, North Dakota State University

  View abstract →

• Multithermal-multibaric ensembles from collective-variables-based enhanced sampling methods

  ORAL

  March 18, 2021, 4:48 PM – March 18, 2021, 5:00 PM

  Presenters

  • Pablo Piaggi

    Princeton University, Department of Chemistry, Princeton University

  Authors

  • Pablo Piaggi

    Princeton University, Department of Chemistry, Princeton University

  • Michele Invernizzi

    ETH Zurich

  • Thomas Edward Gartner

    Princeton University, Department of Chemistry, Princeton University

  • Haiyang Niu

    Northwestern Polytechnical University - China

  • Michele Parrinello

    ETH Zurich

  View abstract →

• Non-Reversible Monte Carlo Simulations of Long-Range Interacting Molecular Systems

  ORAL

  March 18, 2021, 5:00 PM – March 18, 2021, 5:12 PM

  Presenters

  • Philipp Hoellmer

    University of Bonn

  Authors

  • Philipp Hoellmer

    University of Bonn

  • Liang Qin

    École normale supérieure

  • Michael F. Faulkner

    University of Bristol

  • A. C. Maggs

    ESPCI Paris

  • Werner Krauth

    École normale supérieure

  View abstract →

• Measuring configurational entropy of glasses using population annealing

  ORAL

  March 18, 2021, 5:12 PM – March 18, 2021, 5:24 PM

  Presenters

  • Chris Amey

    Physics, Univ of Mass - Amherst

  Authors

  • Chris Amey

    Physics, Univ of Mass - Amherst

  • Jonathan Lee Machta

    Physics, Univ of Mass - Amherst, Santa Fe Institute

  View abstract →

• Parallel multicanonical simulations applied to equilibrium cluster formation

  ORAL

  March 18, 2021, 5:24 PM – March 18, 2021, 5:36 PM

  Presenters

  • Johannes Zierenberg

    Max Planck Institute for Dynamics and Self-Organization

  Authors

  • Johannes Zierenberg

    Max Planck Institute for Dynamics and Self-Organization

  View abstract →

• Error bars for Markov chain Monte Carlo data streams

  ORAL

  March 18, 2021, 5:36 PM – March 18, 2021, 5:48 PM

  Presenters

  • Jonathan Moussa

    Virginia Tech, Molecular Sciences Software Institute, USA

  Authors

  • Jonathan Moussa

    Virginia Tech, Molecular Sciences Software Institute, USA

  View abstract →

• Algorithm for the replica redistribution for population annealing method

  ORAL

  March 18, 2021, 5:48 PM – March 18, 2021, 6:00 PM

  Presenters

  • Lev Shchur

    Landau ITP - Chernogolovka, Landau Institute for Theoretical Physics

  Authors

  • Alexander Russkov

    Keldysh IAM

  • Roman Chulkevich

    HSE University

  • Lev Shchur

    Landau ITP - Chernogolovka, Landau Institute for Theoretical Physics

  View abstract →

• Simulating Frustrated Spin Systems with Memory Dynamics

  ORAL

  March 18, 2021, 6:00 PM – March 18, 2021, 6:12 PM

  Presenters

  • Yan Ru Pei

    University of California, San Diego

  Authors

  • Yan Ru Pei

    University of California, San Diego

  • Massimiliano Di Ventra

    University of California, San Diego, Department of Physics, University of California San Diego

  View abstract →

• A coarse-grained approach to modeling Brownian motion in multi-dimensional rough potentials

  ORAL

  March 18, 2021, 6:12 PM – March 18, 2021, 6:24 PM

  Presenters

  • Thomas Gray

    University of Cambridge, Univ of Cambridge

  Authors

  • Thomas Gray

    University of Cambridge, Univ of Cambridge

  • Ee Hou Yong

    Nanyang Technological University

  View abstract →

• Probing predictions due to the nonlocal interface Hamiltonian: Monte Carlo simulations of interfacial fluctuations in Ising films

  ORAL

  March 18, 2021, 6:24 PM – March 18, 2021, 6:36 PM

  Presenters

  • Lijun Pang

    Georgia Gwinnett College

  Authors

  • Lijun Pang

    Georgia Gwinnett College

  • David P Landau

    The University of Georgia, University of Georgia

  • Kurt Binder

    Johannes Gutenberg University

  View abstract →

• Calculating Transport Coefficients from Biased Molecular Dynamics

  ORAL

  March 18, 2021, 6:36 PM – March 18, 2021, 6:48 PM

  Presenters

  • Ernesto Carlos Cortes Morales

    Chemical and Biomolecular Engineering, University of Notre Dame, University of Notre Dame

  Authors

  • Ernesto Carlos Cortes Morales

    Chemical and Biomolecular Engineering, University of Notre Dame, University of Notre Dame

  • Jonathan Whitmer

    University of Notre Dame, Chemical and Biomolecular Engineering, University of Notre Dame

  View abstract →

• Smart random walks for accelerated Monte Carlo simulations

  ORAL

  March 18, 2021, 6:48 PM – March 18, 2021, 7:00 PM

  Presenters

  • Ying Wai Li

    Los Alamos National Laboratory

  Authors

  • Ying Wai Li

    Los Alamos National Laboratory

  • Alfred C. K. Farris

    Oxford College of Emory University, Emory University

  • Markus Eisenbach

    National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge National Lab, Oak Ridge National Laboratory, Oak Ridge Nat. Lab

  View abstract →