Advances in Computational Methods for Statistical Physics and Their Applications I

Presentations

• Parallel approaches to long-time atomistic simulations: decomposition, replication, and speculation

  Invited

  March 5, 2019, 8:00 AM – March 5, 2019, 8:36 AM

  Presenters

  • Danny Perez

    • Los Alamos Nationl Lab
    • Los Alamos National Laboratory

  Authors

  • Danny Perez

    • Los Alamos Nationl Lab
    • Los Alamos National Laboratory

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• Advanced computational methods for an accurate thermodynamic description of the paramagnetic state of magnetic materials from first principles

  ORAL

  March 5, 2019, 8:36 AM – March 5, 2019, 8:48 AM

  Presenters

  • Davide Gambino

    • Department of Physics, Chemistry and Biology (IFM), Linköping University

  Authors

  • Davide Gambino

    • Department of Physics, Chemistry and Biology (IFM), Linköping University

  • Bjorn Alling

    • Department of Physics, Chemistry, and Biology (IFM), Linköping University
    • Department of Physics, Chemistry and Biology (IFM), Linköping University

  View abstract →

• Coupled spin dynamics and ab initio molecular dynamics approach for paramagnetic materials

  ORAL

  March 5, 2019, 8:48 AM – March 5, 2019, 9:00 AM

  Presenters

  • Irina Stockem

    • Department of Physics, Chemistry, and Biology (IFM), Linköping University

  Authors

  • Irina Stockem

    • Department of Physics, Chemistry, and Biology (IFM), Linköping University

  • Anders Bergman

    • Uppsala University
    • Department of Physics and Astronomy, Materials Theory Division, Uppsala University

  • Albert Glensk

    • Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne

  • Blazej Grabowski

    • Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH

  • Fritz Körmann

    • Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH

  • Tilmann Hickel

    • Max Planck Institute for Iron Research GmbH
    • Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH

  • Jörg Neugebauer

    • Max Planck Institute for Iron Research GmbH
    • Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH

  • Bjorn Alling

    • Department of Physics, Chemistry, and Biology (IFM), Linköping University
    • Department of Physics, Chemistry and Biology (IFM), Linköping University

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• Full spin modeling and efficient mapping of the high dimensional Hamiltonian in Dy₂Ti₂O₇

  ORAL

  March 5, 2019, 9:00 AM – March 5, 2019, 9:12 AM

  Presenters

  • Anjana Samarakoon

    • NSCD, Oak Ridge National Lab
    • Neutron Scattering Division, Oak Ridge National Laboratory

  Authors

  • Anjana Samarakoon

    • NSCD, Oak Ridge National Lab
    • Neutron Scattering Division, Oak Ridge National Laboratory

  • David Tennant

    • MSTD, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory

  • Cristian Batista

    • Department of Physics & Astronomy, University of Tennessee, Knoxville, TN 37996, USA
    • Department of Physics and Astronomy, The University of Tennessee
    • University of Tennessee
    • Department of Physics and Astronomy, University of Tennessee
    • Department of Physics, University of Tennessee

  • Qiang Zhang

    • Louisiana State University & Oak Ridge National Laboratory (current affiliation)
    • Neutron Scattering Division, Oak Ridge National Laboratory

  • Feng Ye

    • Quantum Condensed Matter Division, Oak Ridge National Laboratory
    • Neutron Scattering Division, Oak Ridge National LaboratoryOak Ridge, Tennessee 37381, USA
    • Quantum Condensed Matter Division, Oak Ridge National Laboratory, TN 37831
    • Oak Ridge National Laboratory
    • Neutron Scattering Division, Oak Ridge National Laboratory

  • Haidong Zhou

    • University of Tennessee
    • Department of Physics and Astronomy, University of Tennessee
    • University of Tennessee, Knoxville
    • Physics, University of Tennessee, Knoxville, TN, United States
    • Physics, University of Tennessee
    • Department of Physics and Astronomy, The University of Tennessee, Knoxville
    • Department of Physics and Astronomy, University of Tennessee, Knoxville
    • Department of Physics, University of Tennessee

  • Markus Eisenbach

    • National Center for Computational Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory
    • National Center of Computational Sciences, Oak Ridge National Laboratory
    • Oak Ridge Natioinal Laboratory

  • Kipton Barros

    • Theoretical Division, Los Alamos National Laboratory

  • Santiago Grigera

    • CONICET La Plata Argentina
    • School of Physics and Astronomy, University of St Andrews

  • Ying Wai Li

    • National Center for Computational Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory
    • National Center of Computational Sciences, Oak Ridge National Laboratory

  • Zhiling Dun

    • School of Physics, Georgia Institute of Technology
    • Georgia Institute of Technology
    • School of Physics, Georgia Tech
    • University of Tennessee
    • Department of Physics, University of Tennessee

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• Digital Alchemy Applied to Molecular Dynamics

  ORAL

  March 5, 2019, 9:12 AM – March 5, 2019, 9:24 AM

  Presenters

  • James C Proctor

    • Department of Materials Science & Engineering, University of Michigan, Ann Arbor, MI, USA
    • University of Michigan, Ann Arbor, MI

  Authors

  • James C Proctor

    • Department of Materials Science & Engineering, University of Michigan, Ann Arbor, MI, USA
    • University of Michigan, Ann Arbor, MI

  • Greg Van Anders

    • Physics, Engineering Physics, and Astronomy, Queen's University
    • Queen's University
    • Department of Physics, Engineering Physics, and Astronomy, Queen's University, Kingston, ON, Canada
    • Physics, Engineering Physics & Astronomy, Queen's University
    • Queen’s University, Kingston, ON, Canada
    • University of Michigan

  • Sharon Glotzer

    • University of Michigan
    • Chemical Engineering, University of Michigan
    • University of Michigan, Ann Arbor, MI

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• Exploring the Early Stages of Corrosion with <i>ab initio</i> Adaptive Kinetic Monte Carlo Simulations of Non-Equilibrium Oxides

  ORAL

  March 5, 2019, 9:24 AM – March 5, 2019, 9:36 AM

  Presenters

  • Michael Waters

    • Materials Science and Engineering, Northwestern University

  Authors

  • Michael Waters

    • Materials Science and Engineering, Northwestern University

  • James M Rondinelli

    • Northwestern University
    • Northwestern university
    • Department of Materials Science and Engineering, Northwestern Univ
    • Materials Science and Engineering, Northwestern University
    • Department of Materials Science and Engineering, Northwestern University

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• Removing Lattice Constraints from Lattice Protein Models: A Wang-Landau Study

  ORAL

  March 5, 2019, 9:36 AM – March 5, 2019, 9:48 AM

  Presenters

  • Alfred Farris

    • Center for Simulational Physics, University of Georgia
    • University of Georgia

  Authors

  • Alfred Farris

    • Center for Simulational Physics, University of Georgia
    • University of Georgia

  • Daniel T. Seaton

    • Harvard University

  • David P Landau

    • Center for Simulational Physics, University of Georgia
    • University of Georgia

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• Ensemble Monte Carlo Growth simulations of polymers in confined environments

  ORAL

  March 5, 2019, 9:48 AM – March 5, 2019, 10:00 AM

  Presenters

  • Graziano Vernizzi

    • Siena College (Loudonville, NY)

  Authors

  • Graziano Vernizzi

    • Siena College (Loudonville, NY)

  • Trung Nguyen

    • Department of Materials Science and Engineering, Northwestern University
    • Chemical and Biological Engineering, Northwestern University
    • Northwestern University (Evanston, IL)
    • Materials Science, Northwestern University

  • Henri Orland

    • CEA Saclay (Gif-sur-Yvette Cedex, France)

  • Monica Olvera de la Cruz

    • Department of Materials Science and Engineering, Northwestern University
    • Northwestern University
    • Material Science and Engineering, Northwestern University
    • Materials Science and Engineering, Northwestern University
    • Northwestern University (Evanston, IL)
    • Materials Science, Northwestern University

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• Model Amyloid Protofibrils Simulated with Replica-Exchange Wang-Landau

  ORAL

  March 5, 2019, 10:00 AM – March 5, 2019, 10:12 AM

  Presenters

  • Matthew S. Wilson

    • Center for Simulational Physics, University of Georgia

  Authors

  • Matthew S. Wilson

    • Center for Simulational Physics, University of Georgia

  • Guangjie Shi

    • Center for Simulational Physics, University of Georgia

  • David P Landau

    • Center for Simulational Physics, University of Georgia
    • University of Georgia

  • Thomas Wuest

    • Scientific IT Services, ETH Zürich
    • Scientific IT Services, ETH Zurich

  • Friederike Schmid

    • Institute of Physics, Johannes Gutenberg University
    • Institute of Physics, Johannes Gutenberg University of Mainz, Germany

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• Conformational mechanics for polymers doubly-grafted to a homogeneous substrate

  ORAL

  March 5, 2019, 10:12 AM – March 5, 2019, 10:24 AM

  Presenters

  • Shengming Zhang

    • Department of Physics and Astronomy, University of Georgia

  Authors

  • Shengming Zhang

    • Department of Physics and Astronomy, University of Georgia

  • Michael Bachmann

    • Department of Physics and Astronomy, University of Georgia

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• Framework to track Order-Disorder Transitions - From Particles to Block Copolymers

  ORAL

  March 5, 2019, 10:24 AM – March 5, 2019, 10:36 AM

  Presenters

  • Ankita Mukhtyar

    • Cornell University

  Authors

  • Ankita Mukhtyar

    • Cornell University

  • Fernando A Escobedo

    • School of Chemical and Biomolecular Engineering, Cornell University
    • Cornell University
    • Robert Frederick Smith School of Chemical and Biomolecular Engineering, Cornell University
    • Chemical and Biomolecular Engineering, Cornell University

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• Noise reduction and automated molecule detection in atomistic diffusion calculations of correlated systems

  ORAL

  March 5, 2019, 10:36 AM – March 5, 2019, 10:48 AM

  Presenters

  • Ian Leifer

    • Harvard University

  Authors

  • Nicola Molinari

    • Harvard University
    • John A. Paulson School of Engineering and Applied Sciences, Harvard University

  • Ian Leifer

    • Harvard University

  • Yu Xie

    • Harvard University

  • Boris Kozinsky

    • Harvard University
    • John A. Paulson School of Engineering and Applied Sciences, Harvard University

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• Scaling relations for the continuum limit from collisions between nanoclusters and rough surfaces

  ORAL

  March 5, 2019, 10:48 AM – March 5, 2019, 11:00 AM

  Presenters

  • Eric Switzer

    • University of Central Florida

  Authors

  • Eric Switzer

    • University of Central Florida

  • Aniket Bhattacharya

    • Department of Physics, University of Central Florida
    • University of Central Florida
    • Physics Department, University of Central Florida

  View abstract →