APS Logo

Computational Design and Discovery of Novel Materials IV: 2D and Layered Materials

FOCUS · S43 · ID: 354449

Presentations

  • Computational Discovery at the Interface of Chemistry and Materials: 1D Carbon Nanothreads and 2D Polar Metals

    Invited

    –

    Presenters

    • Vincent Crespi

      Penn State University, Pennsylvania State University

    Authors

    • Vincent Crespi

      Penn State University, Pennsylvania State University

    • Yuanxi Wang

      Pennsylvania State University

    • Bo Chen

      Pennsylvania State University

    • Tao Wang

      Pennsylvania State University

    • Nadire Nayir

      Pennsylvania State University

    • Boyang Zheng

      Pennsylvania State University

    • Adri C.T. van Duin

      Department of Mechanical Engineering, Penn State University, Pennsylvania State University, Mechanical Engineering, Pennsylvania State University

    • Roald Hoffmann

      Cornell

    View abstract →

  • Robust Half-Metallicity and Perfect Spin Filtering in 2D oxide layer

    ORAL

    –

    Presenters

    • Arqum Hashmi

      Center for Computational Sciences, University of Tsukuba, Japan

    Authors

    • Arqum Hashmi

      Center for Computational Sciences, University of Tsukuba, Japan

    • Kenta Nakanishi

      Graduate School of Pure and Applied Sciences, University of Tsukuba, Japan

    • Muhammad Umar Farooq

      Department of Physics, Southern University of Science and Technology, Shenzhen, China

    • Tomoya Ono

      Department of Electrical and Electronic Engineering, Kobe University, Japan

    View abstract →

  • Giant polarization charge density at ScN/GaN interfaces

    ORAL

    –

    Presenters

    • Nicholas Adamski

      Department of Electrical and Computer Engineering, University of California, Santa Barbara

    Authors

    • Nicholas Adamski

      Department of Electrical and Computer Engineering, University of California, Santa Barbara

    • Cyrus Dreyer

      Columbia University, Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York, 11794-3800, USA and Center for Computational Quantum Physics, Flatiron Institute, 162 5th, Department of Physics and Astronomy, Stony Brook University, State Univ of NY - Stony Brook, Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York, 11794-3800, USA, and Center for Computational Quantum Physics, Flatiron Institute, 162 5th

    • Chris Van de Walle

      Materials Department, University of California, Santa Barbara, University of California, Santa Barbara

    View abstract →

  • Quasi-Binary Transition Metal Dichalcogenide Alloys: Thermodynamic Stability Prediction, Scalable Synthesis and Application

    ORAL

    –

    Presenters

    • John Cavin

      Department of Physics, Washington University in St. Louis, Washington University, St. Louis

    Authors

    • Zahra Hemmat

      Univ of Illinois - Chicago, The University of Illinois at Chicago

    • John Cavin

      Department of Physics, Washington University in St. Louis, Washington University, St. Louis

    • Alireza Ahmadiparidari

      The University of Illinois at Chicago

    • Alexander Ruckel

      The University of Illinois at Chicago

    • Sung Beom Cho

      Korea Institute of Ceramic Engineering and Technology

    • Robert Klie

      Univ of Illinois - Chicago, The University of Illinois at Chicago

    • Rohan Mishra

      Washington University in St. Louis, Washington University, St. Louis, Institute of Materials Science and Engineering, Washington University, St. Louis, Mechanical Engineering & Materials Science, Washington University in St. Louis, washington university in st. louis

    • Amin Salehi-Khojin

      Univ of Illinois - Chicago, The University of Illinois at Chicago

    View abstract →

  • Predicting synthesizable multi-functional edge reconstructions in two-dimensional transition metal dichalcogenides

    ORAL

    –

    Presenters

    • Guoxiang Hu

      Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory, Oak Ridge National Laboratory

    Authors

    • Guoxiang Hu

      Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory, Oak Ridge National Laboratory

    • Anh Pham

      Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge National Lab

    • Victor Fung

      Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory

    • Xiahan Sang

      Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory

    • Raymond Unocic

      Oak Ridge National Lab, Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory

    • Panchapakesan Ganesh

      Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge National Lab

    View abstract →

  • A Computational Study of Layered Sulfides for CO2 Reduction Photocatalysts

    ORAL

    Presenters

    • Hao Yu

      Department of Physics, Southern University of Science and Technology

    Authors

    • Hao Yu

      Department of Physics, Southern University of Science and Technology

    • Elizabeth A Peterson

      Physics, UC Berkeley, Department of Physics, University of California, Berkeley, Lawrence Berkeley National Laboratory

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, Physics, UC Berkeley, Kavli Energy Nanoscience Institute at Berkeley, Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, University of California, Berkeley; Molecular Foundry, Lawrence Berkeley National Laboratory; Kavli Energy Nanosciences Institute at Berkeley, University of California, Berkeley, Lawrence Berkeley National Lab

    View abstract →