Computational Design and Discovery of Novel Materials: Graphene and 2D Materials

Presentations

• Predicting Effective Solvents for Graphene Stabilization in Nonaqueous Dispersions

  Invited

  March 18, 2021, 8:00 AM – March 18, 2021, 8:36 AM

  Presenters

  • Nuala Caffrey

    • School of Physics, University College Dublin

  Authors

  • Nuala Caffrey

    • School of Physics, University College Dublin

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• First-principles study of doped graphene with single and double vacancies

  ORAL

  March 18, 2021, 8:36 AM – March 18, 2021, 8:48 AM

  Presenters

  • Xiangyue Liu

    • Fritz-Haber Institute

  Authors

  • Xiangyue Liu

    • Fritz-Haber Institute

  • Weiqi Wang

    • Fritz-Haber Institute

  • Jesús Pérez-Ríos

    • Molecular Physics, Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber Institute
    • Molecular Physics, Fritz Haber Institute

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• Two-dimensional magnetic order in Cr-based transition metal chalcogenides

  ORAL

  March 18, 2021, 8:48 AM – March 18, 2021, 9:00 AM

  Presenters

  • Jan Phillips

    • University of Santiago de Compostela

  Authors

  • Jan Phillips

    • University of Santiago de Compostela

  • Victor Pardo

    • University of Santiago de Compostela
    • Applied Phisics, Universidade de Santiago de Compostela

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• Machine Learning-Enabled Design of Point Defects in 2D Materials

  ORAL

  March 18, 2021, 9:00 AM – March 18, 2021, 9:12 AM

  Presenters

  • Nathan C Frey

    • University of Pennsylvania

  Authors

  • Nathan C Frey

    • University of Pennsylvania

  • Deji Akinwande

    • University of Texas at Austin
    • Microelectronics Research Center, The University of Texas

  • Deep M Jariwala

    • University of Pennsylvania

  • Vivek b Shenoy

    • University of Pennsylvania

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• Stability, Electronic, Magnetic and Piezoelectric Properties of Two Dimensional Transition Metal Silicates

  ORAL

  March 18, 2021, 9:12 AM – March 18, 2021, 9:24 AM

  Presenters

  • Kayahan Saritas

    • Yale University
    • Department of Applied Physics, Yale University
    • Applied Physics, Yale University

  Authors

  • Kayahan Saritas

    • Yale University
    • Department of Applied Physics, Yale University
    • Applied Physics, Yale University

  • Nassar Doudin

    • Yale University

  • Eric I. Altman

    • Yale University

  • Sohrab Ismail-Beigi

    • Department of Mechanical Engineering & Materials Science, Yale University
    • Yale University

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• Piecewise Hamiltonian construction of a metal (NbS₂)/semiconductor(WSe₂) two-dimensional (2D) hybrid heterojunction.

  ORAL

  March 18, 2021, 9:24 AM – March 18, 2021, 9:36 AM

  Presenters

  • Poonam Kumari

    • CNR-ICCOM, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, 56124, Pisa
    • S N Bose National Center for Basic Science

  Authors

  • Poonam Kumari

    • CNR-ICCOM, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, 56124, Pisa
    • S N Bose National Center for Basic Science

  • Luca Sementa

    • IPCF, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, 56124, Pisa

  • Alessandro Fortunelli

    • CNR-ICCOM, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, 56124, Pisa

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• Resonant tunneling and the transmission over a non-square barrier in α-T₃ lattice

  ORAL

  March 18, 2021, 9:36 AM – March 18, 2021, 9:48 AM

  Presenters

  • Nicholas Weekes

    • Physics and Computer Science, Medgar Evers college, CUNY

  Authors

  • Nicholas Weekes

    • Physics and Computer Science, Medgar Evers college, CUNY

  • Andrii Iurov

    • Medgar Evers College
    • Physics and Computer Science, Medgar Evers college, CUNY
    • Physics and Astronomy, Medgars Evers college,City University of New York
    • Department of Physics and Computer Science, Medgar Evers College of City University of New York
    • Physics and Computer Science, Medgar Evers College

  • Liubov Zhemchuzhna

    • Medgar Evers College
    • Physics and Computer Science, Medgar Evers college, CUNY
    • Department of Physics and Astronomy, Hunter College of the City University of New York

  • Godfrey Anthony Gumbs

    • Hunter College
    • Physics and Astronomy, Hunter College
    • Physics and Astronomy, Hunter college, CUNY
    • Physics, Hunter College of CUNY
    • Physics and Astronomy, Hunter college, City University of New York
    • Department of Physics and Astronomy, Hunter College of the City University of New York

  • Danhong Huang

    • US Air Force Research Lab (AFRL/RVSU)
    • Air force research lab
    • Space Vehicles Directorate, US Air Force Research Laboratory
    • Air Force Research Lab - Kirtland
    • Center for High Technology Materials, University of New Mexico
    • US Air Force Research Laboratory

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• Designing a unique 2D/1D assembly for an efficient detection of the full IR spectrum

  ORAL

  March 18, 2021, 9:48 AM – March 18, 2021, 10:00 AM

  Presenters

  • Tuhin Maji

    • S N Bose National Center for Basic Science
    • S N Bose National Centre for Basic Sciences, Kolkata

  Authors

  • Tuhin Maji

    • S N Bose National Center for Basic Science
    • S N Bose National Centre for Basic Sciences, Kolkata

  • Debjani Karmakar

    • Bhabha Atomic Research Centre

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• Air-Stable Monolayer Cu₂Se Exhibits a Purely Thermal Structural Phase Transition

  ORAL

  March 18, 2021, 10:00 AM – March 18, 2021, 10:12 AM

  Presenters

  • Yang Song

    • Institute of Physics, Chinese Academy of Sciences

  Authors

  • Yang Song

    • Institute of Physics, Chinese Academy of Sciences

  • Kai Qian

    • Institute of Physics, Chinese Academy of Sciences

  • Lei Gao

    • Institute of Physics, Chinese Academy of Sciences

  • Xiya Chen

    • Institute of Physics, Chinese Academy of Sciences

  • Yu-Yang Zhang

    • Chinese Academy of Sciences,Institute of Physics
    • University of Chinese Academy of Sciences
    • Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, China
    • School of physical sciences, Institute of Physics and University of Chinese Academy of Sciences
    • Institute of Physics, Chinese Academy of Sciences
    • Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences

  • Xiao Lin

    • Institute of Physics, Chinese Academy of Sciences

  • Shixuan Du

    • Chinese Academy of Sciences,Institute of Physics
    • Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, China
    • School of physical sciences, Institute of Physics and University of Chinese Academy of Sciences
    • Institute of Physics, Chinese Academy of Sciences
    • Chinese Academy of Science
    • Chinese Academy of Sciences, Institute of Physics
    • Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences

  • Min Ouyang

    • Institute of High Energy Physics, Chinese Academy of Sciences
    • University of Maryland

  • Sokrates T Pantelides

    • Department of Physics and Engineering, Vanderbilt University
    • Department of Physics and Astronomy, Vanderbilt Univ
    • Department of Physics and Astronomy, Vanderbilt University
    • Vanderbilt Univ
    • Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235, USA
    • Institute of Physics, Chinese Academy of Sciences
    • Department of Physics and Astronomy & Department of Electrical Engineering and Computer Science, Vanderbilt University
    • Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science, Vanderbilt University, Nashville, TN
    • Department of Electrical Engineering and Computer Science, Vanderbilt University
    • Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science, Vanderbilt University
    • Vanderbilt University

  • Hongjun Gao

    • Chinese Academy of Sciences,Institute of Physics
    • Institute of Physics, Chinese Academy of Sciences
    • Chinese Academy of Sciences, Institute of Physics

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• A machine learning approach to predict the magnetic property of metal-doped graphene

  ORAL

  March 18, 2021, 10:12 AM – March 18, 2021, 10:24 AM

  Presenters

  • Eric Inclan

    • Department of Aerospace Engineering, Georgia Institute of Technology

  Authors

  • Eric Inclan

    • Department of Aerospace Engineering, Georgia Institute of Technology

  • Jack Lasseter

    • Department of Materials Science and Engineering, University of Tennessee

  • Lizhi Zhang

    • Department of Physics and Astronomy, University of Tennessee

  • Mina Yoon

    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, USA
    • Oak Ridge National Lab
    • CNMS, Oak Ridge National Lab

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• Computational design and phase prediction of transition metal dichalcogenides using machine learning techniques

  ORAL

  March 18, 2021, 10:24 AM – March 18, 2021, 10:36 AM

  Presenters

  • Pratibha Dev

    • Howard University
    • Physics, Howard University
    • Physics and Astronomy, Howard University

  Authors

  • Pankaj Kumar

    • Howard University

  • Vinit Sharma

    • University of Tennessee, Knoxville, TN
    • University of Tennessee

  • Pratibha Dev

    • Howard University
    • Physics, Howard University
    • Physics and Astronomy, Howard University

  View abstract →