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Computational Design and Discovery of Novel Materials

FOCUS · E56 · ID: 381736

Presentations

  • Feature Selection for Hybrid Interfaces: Predicting the Interface Dipole from Molecular Properties

    ORAL

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    Presenters

    • Johannes Cartus

      Institute of Solid State Physics, Graz University of Technology, Graz Univ of Technology

    Authors

    • Johannes Cartus

      Institute of Solid State Physics, Graz University of Technology, Graz Univ of Technology

    • Andreas Jeindl

      Institute of Solid State Physics, Graz University of Technology, Graz Univ of Technology

    • Lukas Hörmann

      Institute of Solid State Physics, Graz University of Technology, Graz Univ of Technology

    • Oliver T. Hofmann

      Institute of Solid State Physics, Graz University of Technology, Graz Univ of Technology

    View abstract →

  • Mesoscopic modeling of disordered morphologies of blends and block-copolymers for light-emitting diodes

    ORAL

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    Presenters

    • Kostas Daoulas

      Max Planck Institute for Polymer Research

    Authors

    • Jianrui Zhang

      Max Planck Institute for Polymer Research

    • Kurt Kremer

      Max Planck Institute for Polymer Research Mainz, Max Planck Institute for Polymer Research

    • Jasper Michels

      Max Planck Institute for Polymer Research

    • Kostas Daoulas

      Max Planck Institute for Polymer Research

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  • New Horizons for Materials Research

    Invited

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    Presenters

    • Claudia Draxl

      Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany, Humboldt Universität zu Berlin, 12489 Berlin, DE, Humboldt University of Berlin, Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, 12489 Berlin, Germany, Physics Department and IRIS Adlershof, Humboldt University of Berlin

    Authors

    • Claudia Draxl

      Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany, Humboldt Universität zu Berlin, 12489 Berlin, DE, Humboldt University of Berlin, Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, 12489 Berlin, Germany, Physics Department and IRIS Adlershof, Humboldt University of 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

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  • Learning the electronic density of states in condensed matter

    ORAL

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    Presenters

    • Chiheb Ben Mahmoud

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Chiheb Ben Mahmoud

      Ecole Polytechnique Federale de Lausanne

    • Andrea Anelli

      Ecole Polytechnique Federale de Lausanne

    • Gabor Csanyi

      University of Cambridge, Univ of Cambridge

    • Michele Ceriotti

      Ecole polytechnique federale de Lausanne, Ecole Polytechnique Federale de Lausanne, Institute of Materials, Swiss Federal Institute of Technology in Lausanne (EPFL), Switzerland, École Polytechnique Federale de Lausanne, Laboratory of Computational Science and Modeling, Institut des Matériaux, École Polytechnique Fédérale de Lausanne

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  • Machine learning prediction of defect formation energies

    ORAL

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    Presenters

    • Vinit Sharma

      University of Tennessee, Knoxville, TN, University of Tennessee

    Authors

    • Vinit Sharma

      University of Tennessee, Knoxville, TN, University of Tennessee

    • Pankaj Kumar

      Howard University

    • Pratibha Dev

      Howard University, Physics, Howard University, Physics and Astronomy, Howard University

    • Ghanshyam Pilania

      Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos National Laboratory

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  • Machine Learning Accelerated Discovery of Mixed Anion Materials

    ORAL

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    Presenters

    • Jiahong Shen

      Northwestern University

    Authors

    • Jiahong Shen

      Northwestern University

    • Cheol Park

      Materials Science and Engineering, Northwestern University, Northwestern University

    • Jiangang He

      Northwestern University

    • Christopher Wolverton

      Northwestern University, Materials Science and Engineering, Northwestern University

    View abstract →