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Computational Methods for Statistical Mechanics: Advances and Applications II

FOCUS · T62 · ID: 1101012

Presentations

  • Sunny, an open source code for simulating generalized spin dynamics

    ORAL

    –

    Publication: [1] https://github.com/SunnySuite/Sunny.jl/<br>[2] David Dahlbom, Cole Miles, Hao Zhang, Cristian D. Batista, Kipton Barros. "Langevin dynamics of generalized spins as SU(N) coherent states," arXiv:2209.01265. (Submitted to Phys. Rev. B.)

    Presenters

    • Kipton M Barros

      Los Alamos Natl Lab, Theoretical Division and CNLS, Los Alamos National Laboratory

    Authors

    • Kipton M Barros

      Los Alamos Natl Lab, Theoretical Division and CNLS, Los Alamos National Laboratory

    • David A Dahlbom

      University of Tennessee, University of Tennessee, Knoxville

    • Cole M Miles

      Cornell University

    • Hao Zhang

      University of Tennessee

    • Sakib Matin

      Boston University, Los Alamos National Laboratory

    • Matthew S Wilson

      Los Alamos National Laboratory

    • Ying-Wai Li

      Los Alamos National Laboratory

    • Xiaojian Bai

      Oak Ridge National Lab

    • Martin P Mourigal

      Georgia Tech

    • Cristian Batista

      University of Tennessee, University of Tennessee, Knoxville

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  • Supervised and Unsupervised Machine Learning of Structural Phases of Polymers Adsorbed to Nanowires

    ORAL

    –

    Publication: Supervised and unsupervised machine learning of structural phases of polymers adsorbed to nanowires<br>Quinn Parker, Dilina Perera, Ying Wai Li, and Thomas Vogel<br>Phys. Rev. E 105, 035304 – Published 24 March 2022<br>https://doi.org/10.1103/PhysRevE.105.035304

    Presenters

    • Thomas Vogel

      University of North Georgia

    Authors

    • Thomas Vogel

      University of North Georgia

    • Quinn Parker

      Georgia Institute of Technology

    • Dilina Perera

      University of North Georgia

    • Ying-Wai Li

      Los Alamos National Laboratory

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  • Ab Initio Generalized Langevin Equations

    ORAL

    –

    Publication: [1] Xie, P., Car, R. & E, W. Ab Initio Generalized Langevin Equations. Manuscript in Preparation<br>[2] Xie, P., Chen, Y., E, W. & Car, R. (2022). Ab initio multi-scale modeling of ferroelectrics: The case of PbTiO3. arXiv preprint arXiv:2205.11839.

    Presenters

    • Pinchen Xie

      Princeton University

    Authors

    • Pinchen Xie

      Princeton University

    • Roberto Car

      Princeton University

    • Weinan E

      Peking University, AI for Science Institute, Beijing, China

    View abstract →