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Computational Design and Discovery of Novel Materials: New Structures, Alloys and Synthesis Routes

FOCUS · P56 · ID: 381733

Presentations

  • Predicting the phase stability of high entropy oxides

    ORAL

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    Presenters

    • Krishna Pitike

      Oak Ridge National Lab

    Authors

    • Krishna Pitike

      Oak Ridge National Lab

    • Markus Eisenbach

      National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge National Lab, Oak Ridge National Laboratory, Oak Ridge Nat. Lab

    • Craig A. Bridges

      Oak Ridge National Lab

    • Valentino Cooper

      Oak Ridge National Lab

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  • Novel high-pressure phases in the Nb-S system

    ORAL

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    Presenters

    • Roman Lucrezi

      Graz Univ of Technology

    Authors

    • Roman Lucrezi

      Graz Univ of Technology

    • Christoph Heil

      Graz Univ of Technology, Institute of Theoretical and Computational Physics, Graz University of Technology, Physics, Graz University of Technology

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  • Effect of alloying and pressure in the structural transition of AsxP1-x system: A first principle study

    ORAL

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    Presenters

    • Md Rajib khan Musa

      University of Louisville, Department of physics and astronomy, University of Louisville

    Authors

    • Md Rajib khan Musa

      University of Louisville, Department of physics and astronomy, University of Louisville

    • Kazi Jannatul Tasnim

      University of Louisville, Department of physics and astronomy, University of Louisville

    • Manthila C Rajapakse

      Department of physics and astronomy, University of Louisville

    • Jacek Bogdan Jasinski

      Conn Center for Renewable Energy Research, University of Louisville

    • Gamini Udaya Sumanasekera

      Department of physics and astronomy, University of Louisville

    • Ming Yu

      University of Louisville, Department of physics and astronomy, University of Louisville

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  • High Throughput Discovery of Inorganic Compounds

    ORAL

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    Presenters

    • Sean Griesemer

      Materials Science and Engineering, Northwestern University

    Authors

    • Sean Griesemer

      Materials Science and Engineering, Northwestern University

    • Cheol Park

      Materials Science and Engineering, Northwestern University, Northwestern University

    • Christopher Wolverton

      Northwestern University, Materials Science and Engineering, Northwestern University

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  • Modeling Atomic Layer Deposition of Alumina as an Ultra-thin Tunnel Barrier using Reactive Molecular Dynamics

    ORAL

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    Presenters

    • Devon Romine

      Missouri State Univ

    Authors

    • Devon Romine

      Missouri State Univ

    • Ridwan Sakidja

      Missouri State Univ, Physics, Astronomy, and Material Science, Missouri State University, Department of Physics, Astronomy, and Materials Science, Missouri State University

    • Judy Zhihong Wu

      Physics and Astronomy, The University of Kansas, University of Kansas

    • Yuxuan Lu

      Missouri State Univ

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  • Stability of atomic structures in the Al-Co-Cu quasicrystal phase

    ORAL

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    Presenters

    • Yang Huang

      Carnegie Mellon Univ

    Authors

    • Yang Huang

      Carnegie Mellon Univ

    • Michael Widom

      Physics, Carnegie-Mellon University, Pittsburgh, PA 15213, USA, Carnegie Mellon Univ, Department of Physics, Carnegie Mellon University

    • Marek Mihalkovic

      Slovak Academy of Sciences

    View abstract →