Free Energy Mapping in Biology and Materials Science I

FOCUS · R20

Presentations

  • Monte Carlo Sampling with Layered Auxiliary Potentials

    ORAL

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    Presenters

    • Michael Webb

      Argonne Natl Lab

    Authors

    • Michael Webb

      Argonne Natl Lab

    • Nicholas Jackson

      Argonne Natl Lab, The Institute for Molecular Engineering, Argonne National Lab

    • Juan De Pablo

      Institute for Molecular Engineering, The University of Chicago, Institute for Molecular Engineering, Univ of Chicago, Institute for molecular engineering, The University of Chicago, University of Chicago, Univ of Chicago, Institute for Molecular Engineering, University of Chicago, The Institute for Molecular Engineering, The University of Chicago, Institute of Molecular Engineering, University of Chicago

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  • Extracting collective motions underlying nucleosome dynamics via nonlinear manifold learning

    ORAL

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    Presenters

    • Ashley Guo

      Institute for Molecular Engineering, Univ of Chicago, Univ of Chicago

    Authors

    • Ashley Guo

      Institute for Molecular Engineering, Univ of Chicago, Univ of Chicago

    • Joshua Lequieu

      Univ of Chicago, University of California Santa Barbara

    • Joshua Moller

      Univ of Chicago, University of Chicago

    • Juan De Pablo

      Institute for Molecular Engineering, The University of Chicago, Institute for Molecular Engineering, Univ of Chicago, Institute for molecular engineering, The University of Chicago, University of Chicago, Univ of Chicago, Institute for Molecular Engineering, University of Chicago, The Institute for Molecular Engineering, The University of Chicago, Institute of Molecular Engineering, University of Chicago

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  • Learning Free Energies from Molecular Simulation using Artificial Neural Networks

    ORAL

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    Presenters

    • Hythem Sidky

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

    Authors

    • Hythem Sidky

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

    • Jonathan Whitmer

      Chemical & Biomolecular Engineering, University of Notre Dame, Chemical and Biomolecular Engineering, University of Notre Dame, Univ of Notre Dame, Department of Chemical and Biomolecular Engineering, University of Notre Dame

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  • Using Free Energy Perturbation to Differentiate ssDNA-Wrapped Single-Walled Carbon Nanotube Complexes

    ORAL

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    Presenters

    • Kevin Hinkle

      Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech

    Authors

    • Kevin Hinkle

      Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech

    • Frederick Phelan Jr.

      Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech, Materials Science & Engineering, NIST -Natl Inst of Stds & Tech, National Institute of Standards and Technology

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  • Adaptive Enhanced Sampling with FUNN: Force-biasing Using Neural Networks

    ORAL

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    Presenters

    • Emre Sevgen

      Institute for Molecular Engineering, Univ of Chicago

    Authors

    • Ashley Guo

      Institute for Molecular Engineering, Univ of Chicago, Univ of Chicago

    • Emre Sevgen

      Institute for Molecular Engineering, Univ of Chicago

    • Hythem Sidky

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

    • Jonathan Whitmer

      Chemical & Biomolecular Engineering, University of Notre Dame, Chemical and Biomolecular Engineering, University of Notre Dame, Univ of Notre Dame, Department of Chemical and Biomolecular Engineering, University of Notre Dame

    • Juan De Pablo

      Institute for Molecular Engineering, The University of Chicago, Institute for Molecular Engineering, Univ of Chicago, Institute for molecular engineering, The University of Chicago, University of Chicago, Univ of Chicago, Institute for Molecular Engineering, University of Chicago, The Institute for Molecular Engineering, The University of Chicago, Institute of Molecular Engineering, University of Chicago

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  • Path-Accelerated Molecular Dynamics: Parallelizing Molecular Dynamics in Time using Path Integrals

    ORAL

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    Presenters

    • Jorge Rosa

      Division of Chemistry and Chemical Engineering, California Institute of Technology

    Authors

    • Jorge Rosa

      Division of Chemistry and Chemical Engineering, California Institute of Technology

    • Bin Zhang

      Department of Chemistry, Massachusetts Institute of Technology

    • Thomas Miller

      Caltech, Division of Chemistry and Chemical Engineering, California Institute of Technology, Chemistry and Chemical Engineering, Caltech, California Institute of Technology, Division of Chemistry and Chemical Engineering, Caltech, Chemistry & Chemical Engineering, Caltech

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  • Metadynamics study of protein crystal nucleation and growth

    ORAL

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    Presenters

    • Jens Glaser

      Chemical Engineering, Univ of Michigan - Ann Arbor

    Authors

    • Jens Glaser

      Chemical Engineering, Univ of Michigan - Ann Arbor

    • Sharon Glotzer

      Chemical Engineering, Univ of Michigan - Ann Arbor, Univ of Michigan - Ann Arbor, Department of Chemical Engineering, University of Michigan - Ann Arbor, Department of Chemical Engineering, University of Michigan, Chemical Engineering, University of Michigan, Department of Chemical Engineering, Univ of Michigan - Ann Arbor

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