Open Science and Open Data

Presentations

• FAIR and Reproducible High-Throughput Workflows with AiiDA

  ORAL

  March 19, 2021, 8:00 AM – March 19, 2021, 8:12 AM

  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

  March 19, 2021, 8:12 AM – March 19, 2021, 8:24 AM

  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 Organic Superconductor Database

  ORAL

  March 19, 2021, 8:24 AM – March 19, 2021, 8:36 AM

  Presenters

  • Owen Ganter

    • Clark University

  Authors

  • Owen Ganter

    • Clark University

  • Charles C Agosta

    • Clark University

  View abstract →

• The OpenAIRE Research Graph: Science as a public good

  Invited

  March 19, 2021, 8:36 AM – March 19, 2021, 9:12 AM

  Presenters

  • Paolo Manghi

    • Consiglio Nazionale delle Ricerche (CNR), Italy

  Authors

  • Paolo Manghi

    • Consiglio Nazionale delle Ricerche (CNR), Italy

  View abstract →

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

  ORAL

  March 19, 2021, 9:12 AM – March 19, 2021, 9:24 AM

  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

  March 19, 2021, 9:24 AM – March 19, 2021, 9:36 AM

  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 →