Topological, Highly-Correlated, and Complex Materials

Presentations

• Synthesis of the post-diamond BC8 phase of carbon with exascale computers and experiment

  ORAL · Invited

  March 19, 2025, 8:00 AM – March 19, 2025, 8:36 AM

  Presenters

  • Ivan Oleynik

    • University of South Florida

  Authors

  • Ivan Oleynik

    • University of South Florida

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

  ORAL

  March 19, 2025, 8:36 AM – March 19, 2025, 8:48 AM

  Publication: https://arxiv.org/abs/2407.11208

  Presenters

  • Weiyi Xia

    • Ames National Laboratory

  Authors

  • Weiyi Xia

    • Ames National Laboratory

  • Wei-Shen Tee

    • Iowa State University

  • Paul C Canfield

    • Iowa State University
    • Ames National Laboratory, and Department of Physics and Astronomy, Iowa State University
    • Ames National Laboratory and Iowa State University

  • Fernando A Garcia

    • Iowa State University

  • Raquel A. Ribeiro

    • Iowa State University

  • Yongbin Lee

    • Iowa State University

  • Liqin Ke

    • Ames National Laboratory

  • Rebecca A Flint

    • Iowa State University

  • Cai-Zhuang Wang

    • Ames National Lab
    • Iowa State University

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• Dynamical Stability of Ce-based Intermetallic Ternary Compounds Predicted By Machine-Learning-Guided Studies

  ORAL

  March 19, 2025, 8:48 AM – March 19, 2025, 9:00 AM

  Presenters

  • Wei-Shen Tee

    • Iowa State University

  Authors

  • Wei-Shen Tee

    • Iowa State University

  • Weiyi Xia

    • Ames National Lab

  • Rebecca A Flint

    • Iowa State University

  • Cai-Zhuang Wang

    • Ames National Lab
    • Iowa State University

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• Using DFT to investigate Ca₂MoO₄ as a potential MIT candidate

  ORAL

  March 19, 2025, 9:00 AM – March 19, 2025, 9:12 AM

  Presenters

  • Larry Chen

    • Northwestern University

  Authors

  • Larry Chen

    • Northwestern University

  • James M Rondinelli

    • Northwestern University
    • Northwestern University, Department of Materials Science and Engineering
    • Department of Material Science and Engineering, Northwestern University

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• Weyl fermions with various chiralities in an f-electron ferromagnetic system: PrB₄

  ORAL

  March 19, 2025, 9:12 AM – March 19, 2025, 9:24 AM

  Publication: Physical Review B 110, 075156 (2024)

  Presenters

  • Chang-Jong Kang

    • Chungnam Natl Univ

  Authors

  • Chang-Jong Kang

    • Chungnam Natl Univ

  • Dong-Choon Ryu

    • Chungnam National University

  • Junwon Kim

    • POSTECH

  • Bongjae Kim

    • Kyungpook National University

  • B. I. Min

    • POSTECH

  • Kyoo Kim

    • Rutgers University, New Brunswick
    • Korea Atomic Energy Research Institute

  View abstract →

• Abstract Withdrawn

  ORAL · Withdrawn

  March 19, 2025, 9:24 AM – March 19, 2025, 9:36 AM

  View abstract →

• Finding the symmetries of defects in 2D quantum materials

  ORAL

  March 19, 2025, 9:36 AM – March 19, 2025, 9:48 AM

  Publication: B. Field, S. M. Griffin, "Scanning tables of the layer groups", arXiv:2410.18750

  Presenters

  • Bernard A Field

    • Lawrence Berkeley National Laboratory

  Authors

  • Bernard A Field

    • Lawrence Berkeley National Laboratory

  • Sinead M Griffin

    • Lawrence Berkeley National Laboratory
    • Materials Sciences Division and Molecular Foundry, LBNL
    • Materials Sciences Division and Molecular Foundry, Berkeley Lab
    • Lawrence Berkeley National Lab

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• First-principles study of novel honeycomb-shaped 2D oxygen crystal on an ultraflat Cu (111)

  ORAL

  March 19, 2025, 9:48 AM – March 19, 2025, 10:00 AM

  Publication: preprint: https://www.researchsquare.com/article/rs-4940255/v1

  Presenters

  • BINOD Regmi

    • Mississippi State University

  Authors

  • BINOD Regmi

    • Mississippi State University

  • Se-Young Jeong

    • Korea Advanced Institute of Science and Technology
    • Pusan National University

  • Su Jae Kim

    • Pusan National University

  • Nguyen Huu Lam

    • University of Ulsan

  • Hee-Chang Kyung

    • Korea Advanced Institute of Science and Technology

  • Hye-Won Ko

    • Korea Advanced Institute of Science and Technology

  • Yousil Lee

    • Copper Innovative Technology (CIT) Co. Busan

  • Young-Min Kim

    • Department of Energy Science, Sungkyunkwan University

  • Kyung-Jin Lee

    • KAIST
    • Korea Advanced Institute of Science and Technology

  • Seong-Gon Kim

    • Mississippi state university

  • Ganbat Duvjir

    • Department of Semiconductor Physics and Engineering, University of Ulsan

  • Jungdae Kim

    • Department of Semiconductor Physics and Engineering, University of Ulsan
    • University of Ulsan

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• A graph theoretical representation of multidomain nanoparticle morphologies

  ORAL

  March 19, 2025, 10:00 AM – March 19, 2025, 10:12 AM

  Publication: Sandraz, E. & Wolverton, C. A graph theoretical representation of multidomain nanoparticle morphologies. In prep. (2024)

  Presenters

  • Elodie Sandraz

    • Northwestern University

  Authors

  • Elodie Sandraz

    • Northwestern University

  • Christopher M Wolverton

    • Northwestern University

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• Modeling the Morphology of Polymorphic Manganese Sulfide Nanocrystals

  ORAL

  March 19, 2025, 10:12 AM – March 19, 2025, 10:24 AM

  Presenters

  • Junchi Chen

    • Washington University in St. Louis

  Authors

  • Junchi Chen

    • Washington University in St. Louis

  • Robert Bruce Wexler

    • Washington University, St. Louis

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• Revealing the Active Site Local Atomic Environment of Oxide-supported Ag Single Atom Catalyst

  ORAL

  March 19, 2025, 10:24 AM – March 19, 2025, 10:36 AM

  Presenters

  • Syeda Faiza Rubab Sherazi

    • University of Central Florida

  Authors

  • Syeda Faiza Rubab Sherazi

    • University of Central Florida

  • Duy Le

    • University of Central Florida

  • Shaohua Xie

    • University of California, Riverside

  • Kailong Ye

    • University of California, Riverside

  • Fudong Liu

    • University of California, Riverside

  • Talat S Rahman

    • University of Central Florida

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• Efficient ab initio prediction of liquidus curves

  ORAL

  March 19, 2025, 10:36 AM – March 19, 2025, 10:48 AM

  Presenters

  • Wenhao Sun

    • University of Michigan

  Authors

  • Wenhao Sun

    • University of Michigan

  View abstract →