Material modeling and computational methods for Quantum science and advanced applications

Presentations

• Machine learning for combinatorial exploration of quantum materials

  ORAL · Invited

  March 14, 2022, 11:30 AM – March 14, 2022, 12:06 PM

  Publication: [1] Stanev et al., "Artificial intelligence for search and discovery of quantum materials," Communications Materials 2, 105 (2021).
  [2] Yuan et al., arXiv:2103.08355 (to appear in Nature (2022)).

  Presenters

  • Ichiro Takeuchi

    • University of Maryland, College Park
    • Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA

  Authors

  • Ichiro Takeuchi

    • University of Maryland, College Park
    • Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742, USA

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• Charting the electronic structure of inorganic materials.

  ORAL · Invited

  March 14, 2022, 12:06 PM – March 14, 2022, 12:42 PM

  Presenters

  • 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), École Polytechnique Fédérale de Lausanne

  Authors

  • 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), École Polytechnique Fédérale de Lausanne

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• New AI models for understanding and predicting quantum phenomena.

  ORAL · Invited

  March 14, 2022, 12:42 PM – March 14, 2022, 1:18 PM

  Presenters

  • Alan Aspuru-Guzik

    • University of Toronto
    • Harvard University

  Authors

  • Alan Aspuru-Guzik

    • University of Toronto
    • Harvard University

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• Multi-armed quantum bandits: Exploration versus exploitation when learning properties of quantum states

  ORAL · Invited

  March 14, 2022, 1:18 PM – March 14, 2022, 1:54 PM

  Presenters

  • Marco P Tomamichel

    • National University of Singapore

  Authors

  • Marco P Tomamichel

    • National University of Singapore

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• 2-D Materials Modelling: from Transistors to Majorana Fermions

  ORAL · Invited

  March 14, 2022, 1:54 PM – March 14, 2022, 2:30 PM

  Publication: C. Klinkert, A. Szabo, C. Stieger, D. Campi, N. Marzari, and M. Luisier, "2-D Materials for Ultra-Scaled Field-Effect Transistors: Hundred Candidates under the Ab Initio Microscope", ACS Nano 14, 8605 (2020).
  
  Y. Lee, T. Agarwal, and M. Luisier, "Ab initio modelling framework for Majorana transport in 2D materials: towards topological quantum computing", Proceedings of the IEDM 2020, pp. 30.3.1-30.3.4, online, December 2020.

  Presenters

  • Mathieu Luisier

    • ETH Zurich

  Authors

  • Mathieu Luisier

    • ETH Zurich

  • Cedric Klinkert

    • ETH Zurich

  • Youseung Lee

    • ETH Zurich

  • Davide Campi

    • EPFL

  • 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), École Polytechnique Fédérale de Lausanne

  View abstract →