Computational Methods for Statistical Mechanics: Advances and Applications II

Presentations

• TBA

  ORAL · Invited

  March 18, 2022, 8:00 AM – March 18, 2022, 8:36 AM

  Presenters

  • Naya Banerjee

    • University of Delaware

  Authors

  • Naya Banerjee

    • University of Delaware

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• HOOMD-blue v3.0: Creating a modern and extensible API for molecular dynamics and Monte Carlo particle simulations

  ORAL

  March 18, 2022, 8:36 AM – March 18, 2022, 8:48 AM

  Publication: HOOMD-blue version 3.0 A Modern, Extensible, Flexible, Object-Oriented API for Molecular Simulations (10.25080/Majora-342d178e-004)

  Presenters

  • Brandon L Butler

    • University of Michigan

  Authors

  • Brandon L Butler

    • University of Michigan

  • Joshua A Anderson

    • University of Michigan

  • Sharon C Glotzer

    • University of Michigan

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• Critical and geometric properties of magnetic polymers across the globule-coil transition

  ORAL

  March 18, 2022, 8:48 AM – March 18, 2022, 9:00 AM

  Publication: https://arxiv.org/abs/2107.11830

  Presenters

  • Kamilla Faizullina

    • National Research University Higher School of Economics

  Authors

  • Kamilla Faizullina

    • National Research University Higher School of Economics

  • Evgeni Burovski

    • HSE University
    • National Research University Higher School of Economics

  • Ilya Pchelintsev

    • National Research University Higher School of Economics

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• A First Look at Structural Properties of Long HP Lattice Protein Sequences

  ORAL

  March 18, 2022, 9:00 AM – March 18, 2022, 9:12 AM

  Publication: A. C. K. Farris and D. P. Landau, Physica A 569, 125778 (2021)

  Presenters

  • Alfred C Farris

    • Emory University

  Authors

  • Alfred C Farris

    • Emory University

  • David P Landau

    • University of Georgia

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• Many-body theory for the lattice thermal conductivity of crystalline thermoelectrics

  ORAL

  March 18, 2022, 9:12 AM – March 18, 2022, 9:24 AM

  Presenters

  • Axel Hübner

    • Humboldt University of Berlin

  Authors

  • Axel Hübner

    • Humboldt University of Berlin

  • Claudia Draxl

    • Humboldt University of Berlin

  • Keith Gilmore

    • Humboldt University of Berlin

  • Santiago Rigamonti

    • Humboldt University of Berlin

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• Thermal Conductivity of Polycrystalline Diamond Using Molecular Dynamics

  ORAL

  March 18, 2022, 9:24 AM – March 18, 2022, 9:36 AM

  Presenters

  • Chaitanya Kane

    • University of Cincinnati

  Authors

  • Woo Kyun Kim

    • University Of Cincinnati

  • Chaitanya Kane

    • University of Cincinnati

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• Temperature-dependent Kinetic Pathways of Heterogeneous Ice Nucleation: Competition between Classical and Non-classical

  ORAL

  March 18, 2022, 9:36 AM – March 18, 2022, 9:48 AM

  Publication: This work has been published in Nature Communications 12, 4954 (2021).

  Presenters

  • Chu Li

    • Department of Physics and Department of Chemistry, the Hong Kong University of Science and Technology

  Authors

  • Chu Li

    • Department of Physics and Department of Chemistry, the Hong Kong University of Science and Technology

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• Optimization of non-equilibrium self-assembly protocols using Markov State Models

  ORAL

  March 18, 2022, 9:48 AM – March 18, 2022, 10:00 AM

  Presenters

  • Anthony S Trubiano

    • Brandeis University
    • Department of Physics & MRSEC, Brandeis University

  Authors

  • Anthony S Trubiano

    • Brandeis University
    • Department of Physics & MRSEC, Brandeis University

  • Michael F Hagan

    • Brandeis Univ
    • Brandeis University

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• PySAGES, Enhanced Sampling Molecular Dynamics Simulations on GPUs

  ORAL

  March 18, 2022, 10:00 AM – March 18, 2022, 10:12 AM

  Publication: Pablo Zubieta, Ludwig Schneider, John Parker, Gustavo Perez-Lemus, and Juan J. de Pablo. "PySAGES, Enhanced Sampling Molecular Dynamics Simulations on GPUs." (Planned paper)

  Presenters

  • Pablo Zubieta

    • Pritzker School of Molecular Engineering, University of Chicago

  Authors

  • Pablo Zubieta

    • Pritzker School of Molecular Engineering, University of Chicago

  • Ludwig Schneider

    • Pritzker School of Molecular Engineering, University of Chicago
    • University of Chicago, Pritzker School of Molecular Engineering
    • University of Chicago, PME
    • University of Chicago

  • John A Parker

    • Research Computing Center, University of Chicago

  • Gustavo R Perez Lemus

    • Pritzker School of Molecular Engineering, University of Chicago
    • University of Chicago

  • Juan De Pablo

    • University of Chicago
    • Pritzker School of Molecular Engineering, University of Chicago

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• VEO, a Vectorized Heuristic to Solve Complex Spin Glass Problems

  ORAL

  March 18, 2022, 10:12 AM – March 18, 2022, 10:24 AM

  Presenters

  • Stefan Boettcher

    • Emory University

  Authors

  • Stefan Boettcher

    • Emory University

  • Mahajabin Rahman

    • Emory University

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• Novel criticality in a simple three-dimensional Potts model with next-nearest-neighbor interaction

  ORAL

  March 18, 2022, 10:24 AM – March 18, 2022, 10:36 AM

  Presenters

  • Jun Takahashi

    • University of New Mexico

  Authors

  • Jun Takahashi

    • University of New Mexico

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• Brittle-to-Ductile Transition of Single-Crystalline Sapphire During Ultra-Precision Machining

  ORAL

  March 18, 2022, 10:36 AM – March 18, 2022, 10:48 AM

  Presenters

  • Dalei Xi

    • University of Cincinnati

  Authors

  • Woo Kyun Kim

    • University Of Cincinnati

  • Dalei Xi

    • University of Cincinnati

  • Yiyang Du

    • University of Cincinnati

  • Aditya Nagaraj

    • University of Wisconsin-Madison

  • Suk Bum Kwon

    • University of Wisconsin-Madison

  • Sangkee Min

    • University of Wisconsin-Madison

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