APS Logo

Open Science and Open Data

FOCUS · X61 · ID: 383826






Presentations

  • FAIR and Reproducible High-Throughput Workflows with AiiDA

    ORAL

    Presenters

    • Sebastiaan Huber

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Sebastiaan Huber

      Ecole Polytechnique Federale de Lausanne

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne, École Polytechnique Fédérale de Lausanne, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne,, Theory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fédérale de Lausanne, THEOS, EPFL, École Polytechnique Fédérale de Lausanne (EPFL), Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (E, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, CH-1015 Lausanne, Switzerland, Theory and simulation of materials (THEOS), National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Materials Engineering, EPFL, Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne

    • Giovanni Pizzi

      Ecole Polytechnique Federale de Lausanne, Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Federale de Lausanne,, Theory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fédérale de Lausanne, THEOS, EPFL

    View abstract →

  • Ontologies in Computational Materials Science

    ORAL

    Presenters

    • Maja-Olivia Lenz-Himmer

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society

    Authors

    • Maja-Olivia Lenz-Himmer

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society

    • Luca M. Ghiringhelli

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Berlin, NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, NOMAD Laboratory, Fritz-Haber Institute of Max-Planck Society, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Fritz Haber Institute, Fritz-Haber Institute

    • Carsten Baldauf

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society

    • Matthias Scheffler

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Berlin, NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Fritz-Haber-Institut der MPG, 14195 Berlin, DE, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Fritz Haber Institute, Fritz Haber Institute Berlin, Fritz Haber Institute of the Max Planck Society, Berlin, Germany, Fritz-Haber Institute

    View abstract →

  • The NOMAD Artificial-Intelligence Toolkit: Web-Based FAIR-Data-Driven Materials Science

    ORAL

    Presenters

    • Luigi Sbailò

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Berlin

    Authors

    • Luigi Sbailò

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Berlin

    • Matthias Scheffler

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Berlin, NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Fritz-Haber-Institut der MPG, 14195 Berlin, DE, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Fritz Haber Institute, Fritz Haber Institute Berlin, Fritz Haber Institute of the Max Planck Society, Berlin, Germany, Fritz-Haber Institute

    • Luca M. Ghiringhelli

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Berlin, NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, NOMAD Laboratory, Fritz-Haber Institute of Max-Planck Society, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Fritz Haber Institute, Fritz-Haber Institute

    View abstract →

  • Discovery of rare-earth-free magnetic materials through databases

    ORAL

    Presenters

    • Masahiro Sakurai

      The Institute for Solid State Physics, The University of Tokyo

    Authors

    • Masahiro Sakurai

      The Institute for Solid State Physics, The University of Tokyo

    • Renhai Wang

      Iowa State University

    • Timothy Liao

      The University of Texas at Austin

    • Chao Zhang

      Iowa State University

    • Huaijun Sun

      Iowa State University

    • Yang Sun

      Iowa State University, Department of Applied Physics and Applied Mathematics, Columbia University, Columbia Univ

    • Haidi Wang

      Iowa State University

    • Xin Zhao

      Iowa State University

    • Songyou Wang

      Fudan University

    • Balamurugan Balasubramanian

      University of Nebraska-Lincoln

    • Xiaoshan Xu

      Physics & Astronomy, University of Nebraska-Lincoln, Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln, University of Nebraska-Lincoln, University of Nebraska - Lincoln, Department of Physics and Astronomy, University of Nebraska - Lincoln, Physics and Astronomy, University of Nebraska-Lincoln

    • David J Sellmyer

      Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln, University of Nebraska-Lincoln, Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska - Lincoln, University of Nebraska - Lincoln, Department of Physics and Astronomy, University of Nebraska-Lincoln

    • Vladimir P Antropov

      Ames Laboratory

    • Jianhua Zhang

      Iowa State University

    • Cai-Zhuang Wang

      Ames Laboratory, U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University, Iowa State University, Dept. of Physics and Astronomy, Iowa State University, Ames Laboratory and Iowa State University, Department of Physics, Iowa State University

    • Kai Ming Ho

      Iowa State University

    • James Chelikowsky

      The University of Texas at Austin, University of Texas at Austin, University of Texas, Austin

    View abstract →