Computational Design, Understanding and Discovery of Novel Materials VI

ORAL · Y58 · ID: 2252768

Presentations

  • Modeling symmetric and defect-free carbon schwarzites into various zeolite templates

    ORAL

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    Publication: Enrico Marazzi, Ali Ghojavand, Jérémie Pirard, Guido Petretto, Jean-Christophe Charlier and Gian-Marco Rignanese, Modeling symmetric and defect-free carbon schwarzites into various zeolite templates, Carbon 215 (2023) 118385

    Presenters

    • Enrico Marazzi

      Université catholique de Louvain

    Authors

    • Enrico Marazzi

      Université catholique de Louvain

    • Ali Ghojavand

      University of Antwerp

    • Jérémie Pirard

      Université catholique de Louvain

    • Guido Petretto

      Université catholique de Louvain

    • Gian-Marco Rignanese

      Universite catholique de Louvain

    • Jean-Christophe Charlier

      Université catholique de Louvain

    View abstract →

  • Extraordinary Electromagnetic Properties of Disordered Stealthy Hyperuniform Layered Media

    ORAL

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    Publication: J. Kim and S. Torquato, "Effective electromagnetic wave properties of disordered stealthy hyperuniform layered media beyond the quasistatic regime," Optica 10, 965-972 (2023);
    J. Kim and S. Torquato, "Theoretical Prediction of the Effective Dynamic Dielectric Constant of Disordered Hyperuniform Anisotropic Composites Beyond the Long-Wavelength Regime," Optical Materials Express, submitted (2023).

    Presenters

    • Jaeuk Kim

      Princeton University

    Authors

    • Jaeuk Kim

      Princeton University

    • Salvatore Torquato

      Princeton University

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  • Structure and mechanical properties of monolayer amorphous carbon and boron nitride

    ORAL

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    Publication: [1] https://doi.org/10.48550/arXiv.2309.15352

    Presenters

    • Xi Zhang

      The University of Chinese Academy of Sciences (UCAS)

    Authors

    • Xi Zhang

      The University of Chinese Academy of Sciences (UCAS)

    • Yu-Tian Zhang

      Institute of Theoretical Physics, Chinese Academy of Sciences

    • Yun-Peng Wang

      Central South University

    • Shiyu Li

      University of Chinese Academy of Sciences

    • Shixuan Du

      Institute of Physics, Chinese Academy of Sciences

    • Yu-Yang Zhang

      University of Chinese Academy of Sciences

    • Sokrates T Pantelides

      Department of Physics and Astronomy, Vanderbilt University

    View abstract →

  • Magnetic Gold: First-principles investigation of stable Au2+ in a mixed-valence halide perovskite

    ORAL

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    Publication: Lindquist, K.P., Eghdami, A., Deschene, C.R. et al. Stabilizing Au2+ in a mixed-valence 3D halide perovskite. Nat. Chem. (2023). https://doi.org/10.1038/s41557-023-01305-y

    Presenters

    • Armin Eghdami

      University of California, Berkeley

    Authors

    • Armin Eghdami

      University of California, Berkeley

    • Alex Smith

      University of California, Berkeley

    • Christina R Deschene

      Stanford University

    • Kurt P Lindquist

      Stanford University

    • Hemamala Karunadasa

      Stanford Univ

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory and UC-Berkeley

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  • Machine Learning-Guided Discovery of Ce-based Ternary Intermetallics

    ORAL

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    Presenters

    • Cai-Zhuang Wang

      Ames National Laboratory, Iowa State University

    Authors

    • Weishen Tee

      Iowa State University

    • Paul C Canfield

      Iowa State University, Ames National Laboratory/Iowa State University

    • Rebecca A Flint

      Iowa State University, Iowa State University and Ames National Laboratory

    • Cai-Zhuang Wang

      Ames National Laboratory, Iowa State University

    View abstract →

  • Emergence of Dirac half-semimetallic channels in graphene nanoribbon/hexagonal boron nitride heterojunctions

    ORAL

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    Publication: Nano Letters 23, 6698 (2023)

    Presenters

    • Michele Pizzochero

      Harvard University

    Authors

    • Michele Pizzochero

      Harvard University

    • Nikita V Tepliakov

      Imperial College London

    • Ruize Ma

      University of Oxford

    • Arash A Mostofi

      Imperial College London

    • Johannes C Lischner

      Imperial College London

    • Efthimios Kaxiras

      Harvard University

    View abstract →

  • The (very late) advent of Quantum Acoustics with application to strange metals

    ORAL

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    Publication: ``Coherent charge carrier dynamics in the presence of thermal lattice vibrations'', Kim, Donghwan and Aydin, Alhun and Daza, Alvar and Avanaki, Kobra N. and Keski-Rahkonen, Joonas and Heller, Eric J., Phys. Rev. B {f 106}, 054311 (2022).

    A. Aydin, D.Kim, J. Keski-Rahkonen, and E.J. Heller, Quantum Acoustics Spawns Planckian Resistivity (arXiv:2303.06077v2)

    J. Keski-Rahkonen, X. Ouyang, S. Yuan, A.M. Graf, A. Aydin, and E.J. Heller, Quantum-Acoustical Drude Peak Shift (In preparation)

    Presenters

    • Eric J Heller

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Harvard University

    Authors

    • Eric J Heller

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Harvard University

    • Alhun Aydin

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA

    • Joonas Keski-Rahkonen

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA

    • Shaobing Yuan

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA

    • Xiaoyu Ouyang

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Peking University

    • Anton M Graf

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Harvard University

    View abstract →

  • The nature of the electro-optic response in tetragonal BaTiO<sub>3</sub>

    ORAL

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    Publication: I. Kim, T. Paoletta and A. A. Demkov, "Nature of the electro-optic response in tetragonal BaTiO3," Phys. Rev. B. 108, 115201 (2023).

    Presenters

    • Alex A Demkov

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

    Authors

    • Alex A Demkov

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

    • Inhwan Kim

      The University of Texas at Austin

    • Tess Paoletta

      UT Austin

    View abstract →

  • Excitonic insulating phase in monolayer transition-metal dichalcogenides: An ab initio study

    ORAL

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    Presenters

    • FANG ZHANG

      University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory

    Authors

    • FANG ZHANG

      University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory

    • Jiawei Ruan

      University of California at Berkeley, UC Berkeley, Lawrence Berkeley National Laboratory, University of California at Berkeley, and Lawrence Berkeley National Laboratory

    • Steven G Louie

      University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory, University of California at Berkeley, and Lawrence Berkeley National Laboratory, UC-Berkeley

    View abstract →

  • A deconstructive analysis of charge-transfer and electrostatic field fluctuations to supplement first-principles modeling of disordered metals

    ORAL

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    Presenters

    • Wai-Ga D Ho

      Florida State University

    Authors

    • Wai-Ga D Ho

      Florida State University

    • Wasim R Mondal

      Middle Tennessee State University

    • Hanna Terletska

      Middle Tennessee State University

    • Ka Ming Tam

      Louisiana State University

    • Mariia Karabin

      Oak Ridge National Lab

    • Markus Eisenbach

      Oak Ridge National Laboratory

    • Yang Wang

      Pittsburgh Supercomput Ctr

    • Vladimir Dobrosavljevic

      Florida State University

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  • Unlocking correlated electron physics through compensated metallicity

    ORAL

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    Presenters

    • Matteo Dürrnagel

      Julius-Maximilians University of Wuerzburg

    Authors

    • Matteo Dürrnagel

      Julius-Maximilians University of Wuerzburg

    • Hendrik Hohmann

      Julius-Maximilians University of Wuerzburg

    • Ronny Thomale

      Julius-Maximilians University of Wuerzbu, Julius-Maximilians University of Wuerzburg, Julius-Maximilians University of Wuerzbug, Julius-Maximilians-University Wuerzburg

    • Tilman Schwemmer

      Julius-Maximilians-Universität Würzburg, University of Würzburg

    • Stephan Rachel

      University of Melbourne

    • Matthew Bunney

      University of Melbourne

    View abstract →