Computational Methods for Statistical Mechanics: Advances and Applications - I

Presentations

• Doing “Statistical Mechanics” with Big Data: Understanding Protein Allostery

  Invited

  March 18, 2021, 12:30 PM – March 18, 2021, 1:06 PM

  Presenters

  • Andrea Liu

    University of Pennsylvania, Department of Physics and Astronomy, University of Pennsylvania

  Authors

  • Andrea Liu

    University of Pennsylvania, Department of Physics and Astronomy, University of Pennsylvania

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• Simulated annealing with adaptive cooling rates

  ORAL

  March 18, 2021, 1:06 PM – March 18, 2021, 1:18 PM

  Presenters

  • Mariia Karabin

    Oak Ridge National Lab, Oak Ridge National Laboratory

  Authors

  • Mariia Karabin

    Oak Ridge National Lab, Oak Ridge National Laboratory

  • Steven Stuart

    Chemistry, Clemson University

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• Machine Learning Regression of Quantum Many-Body Operator Dynamics

  ORAL

  March 18, 2021, 1:18 PM – March 18, 2021, 1:30 PM

  Presenters

  • Justin Reyes

    University of Central Florida

  Authors

  • Justin Reyes

    University of Central Florida

  • Sayandip Dhara

    University of Central Florida

  • Eduardo R Mucciolo

    University of Central Florida, Department of Physics, University of Central Florida, Orlando, FL 32816, USA

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• Why is uncertainty quantification of sloppy models challenging?

  ORAL

  March 18, 2021, 1:30 PM – March 18, 2021, 1:42 PM

  Presenters

  • Yonatan Kurniawan

    Brigham Young University

  Authors

  • Yonatan Kurniawan

    Brigham Young University

  • Mark K Transtrum

    Brigham Young University

  • Cody Petrie

    Brigham Young University

  • Kinamo Jahali Williams

    Brigham Young University

  View abstract →

• Confinement Potential Inside Rare Gas Plated MCM-41 Nanopores

  ORAL

  March 18, 2021, 1:42 PM – March 18, 2021, 1:54 PM

  Presenters

  • Nathan Nichols

    University of Vermont

  Authors

  • Nathan Nichols

    University of Vermont

  • Timothy R Prisk

    National Institute of Standards and Technology

  • Garfield T Warren

    Indiana University Bloomington

  • Paul E Sokol

    Indiana University Bloomington, Indiana Univ - Bloomington

  • Juan M Vanegas

    University of Vermont, Department of Physics, University of Vermont

  • Adrian G Del Maestro

    The University of Tennessee, University of Tennessee, University of Tennessee, Knoxville, Physics, University of Tennessee Knoxville, Department of Physics, University of Vermont

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• Method of the matrix permanent in the theory of critical phenomena: Asymptotics for the large-size power-law circulant matrices

  ORAL

  March 18, 2021, 1:54 PM – March 18, 2021, 2:06 PM

  Presenters

  • William Shannon

    Texas A&M University

  Authors

  • William Shannon

    Texas A&M University

  • Vladimir Kocharovsky

    Institute of Applied Physics of the Russian Academy of Science

  • Sergey Tarasov

    Institute of Applied Physics of the Russian Academy of Science

  • Vitaly Kocharovsky

    Texas A&M University

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• Real-space renormalization group transformation from CNN and maximum likelihood estimation

  ORAL

  March 18, 2021, 2:06 PM – March 18, 2021, 2:18 PM

  Presenters

  • Chak Ming Chan

    Hong Kong Baptist Univ

  Authors

  • Chak Ming Chan

    Hong Kong Baptist Univ

  • WANG DING

    Hong Kong Baptist Univ

  • Liang Tian

    Hong Kong Baptist Univ

  • Lei-Han Tang

    Hong Kong Baptist Univ

  View abstract →

• 2D vortex fluctuations above the critical Kosterlitz-Thouless transition temperature

  ORAL

  March 18, 2021, 2:18 PM – March 18, 2021, 2:30 PM

  Presenters

  • Karla Galdamez

    Chemistry, UC Santa Cruz

  Authors

  • Mingyu Fan

    Physics & Astronomy, UCLA

  • Karla Galdamez

    Chemistry, UC Santa Cruz

  • Charlie McDowell

    Computer Science, UC Santa Cruz

  • Gary Williams

    Physics & Astronomy, UCLA

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• New Developments of Variationally Enhanced Sampling

  ORAL

  March 18, 2021, 2:30 PM – March 18, 2021, 2:42 PM

  Presenters

  • Omar Valsson

    Max Planck Institute for Polymer Research

  Authors

  • Omar Valsson

    Max Planck Institute for Polymer Research

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• Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials

  ORAL

  March 18, 2021, 2:42 PM – March 18, 2021, 2:54 PM

  Presenters

  • Nobahar Shahidi

    University of Tennessee

  Authors

  • Nobahar Shahidi

    University of Tennessee

  • Antonis Chazirakis

    Institute of Applied and Computational Mathematics, Foundation for Research and Technology - Hellas, , Foundation for Research and Technology Hellas, (FORTH), Institute of Applied and Computational Mathematics (IACM), University of Crete

  • Vagelis Harmandaris

    Institute of Applied and Computational Mathematics FORTH, Department of Mathematics and Applied Mathematics, University of Crete, Institute of Applied and Computational Mathematics, Foundation for Research and Technology - Hellas, University of Crete, Computation-based Science and Technology Research Center, The Cyprus Institute, Nicosia, University of Crete, Heraklion, GR-71110, Greece, Mathematics and Applied Mathematics, University of Crete

  • Manolis Doxastakis

    Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA, Department of Chemical and Biomolecular Engineering, University of Tennessee, University of Tennessee

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• Effects of Lattice Constraints in Coarse-Grained Protein Models: A Wang-Landau Study

  ORAL

  March 18, 2021, 2:54 PM – March 18, 2021, 3:06 PM

  Presenters

  • Alfred Farris

    Oxford College of Emory University

  Authors

  • Alfred Farris

    Oxford College of Emory University

  • Daniel Seaton

    Massachusetts Institute of Technology

  • David P Landau

    The University of Georgia, University of Georgia

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• Spin dynamics simulations on the Surface of a nanoscale Heisenberg antiferromagnet

  ORAL

  March 18, 2021, 3:06 PM – March 18, 2021, 3:18 PM

  Presenters

  • Zhuofei Hou

    University of Georgia

  Authors

  • Zhuofei Hou

    University of Georgia

  • David P Landau

    The University of Georgia, University of Georgia

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• Finding free energy barriers for complex mesophases

  ORAL

  March 18, 2021, 3:18 PM – March 18, 2021, 3:30 PM

  Presenters

  • Ankita Mukhtyar

    Cornell University

  Authors

  • Ankita Mukhtyar

    Cornell University

  • Fernando A Escobedo

    Cornell University

  View abstract →