Advances in Computational Methods for Statistical Physics and Their Applications I

FOCUS · E21

Presentations

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

    ORAL

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    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

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

    ORAL

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    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 Dy<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub>

    ORAL

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    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

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    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

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    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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  • Ensemble Monte Carlo Growth simulations of polymers in confined environments

    ORAL

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    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

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

    ORAL

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    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

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    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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