Real-Space Methods for the Electronic Structure Problem III
ORAL · D44 · ID: 354946
Presentations
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Relaxation Effects in the Electronic Structure of Twisted Bilayer Graphene: a Multi-Scale Approach
ORAL
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Presenters
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Srivani Javvaji
Physics, University of Seoul
Authors
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Nicolas Leconte
Department of Physics, University of Seoul, Physics, University of Seoul
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Srivani Javvaji
Physics, University of Seoul
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Jiaqi An
Physics, University of Seoul
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Jeil Jung
Physics, University of Seoul
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Dielectric response of aligned SWCNT films: A theoretical versus experimental study
ORAL
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Presenters
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Chandra Adhikari
Math & Physics Dept, North Carolina Central Univ
Authors
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Chandra Adhikari
Math & Physics Dept, North Carolina Central Univ
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Igor Bondarev
Math & Physics Dept, North Carolina Central Univ
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Real-Space Calculations of Dielectric Screening in Large Silicon Nanocrystals
ORAL
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Presenters
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Timothy Liao
University of Texas at Austin
Authors
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Timothy Liao
University of Texas at Austin
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Kai-Hsin Liou
University of Texas at Austin
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James Chelikowsky
University of Texas at Austin, Department of Physics, University of Texas at Austin
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Superconductivity in heavily boron-doped carbon materials
ORAL
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Presenters
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Yuki Sakai
University of Texas at Austin, Oden Institute for Computational Engineering and Sciences, University of Texas at Austin
Authors
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Yuki Sakai
University of Texas at Austin, Oden Institute for Computational Engineering and Sciences, University of Texas at Austin
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James Chelikowsky
University of Texas at Austin, Department of Physics, University of Texas at Austin
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Marvin L Cohen
University of California, Berkeley, Department of Physics, University of California at Berkeley
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Discriminating functional groups, atomic species and molecular geometries in organic molecules using real-space simulations of non-contact atomic force microscopy
ORAL
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Presenters
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Dingxin Fan
University of Texas at Austin
Authors
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Dingxin Fan
University of Texas at Austin
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Yuki Sakai
University of Texas at Austin, Oden Institute for Computational Engineering and Sciences, University of Texas at Austin
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James Chelikowsky
University of Texas at Austin, Department of Physics, University of Texas at Austin
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Time-dependent magnons from first principles
ORAL
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Presenters
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Florian G Eich
Max Planck Inst Structure & Dynamics of Matter
Authors
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Nicolas Tancogne-Dejean
Max Planck Inst Structure & Dynamics of Matter
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Florian G Eich
Max Planck Inst Structure & Dynamics of Matter
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Angel Rubio
Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Center for Computational Quantum Physics (CCQ), The Flatiron Institute, Max Planck Institute for Structure and Dynamics of Matter, Department of Physics, Columbia University, New York, New York 10027, USA, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany, Max Planck Institute for the Structure and Dynamics of Matter, Structure and Dynamics of Matter, Max Planck Institute, Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany, Max Planck Inst Structure & Dynamics of Matter, Max Planck Institue for the Structure and Dynamics of Matter, Theory, Max Planck Institute for the Structure & Dynamics of Matter
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A real-space pseudopotential method for magnetocrystalline anisotropy energies and the search for magnets without rare-earth metals
ORAL
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Presenters
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Masahiro Sakurai
University of Texas at Austin
Authors
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Masahiro Sakurai
University of Texas at Austin
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James Chelikowsky
University of Texas at Austin, Department of Physics, University of Texas at Austin
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Ab initio calculations of electron and nuclear spin interactions in molecules and solids using a mixed pseudopotential-all electron approach
ORAL
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Presenters
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Krishnendu Ghosh
Mechanical Engineering, Univ of Michigan - Ann Arbor
Authors
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Krishnendu Ghosh
Mechanical Engineering, Univ of Michigan - Ann Arbor
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He Ma
Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA, University of Chicago, Chemistry, University of Chicago
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Vikram Gavini
Mechanical Engineering, Univ of Michigan - Ann Arbor, Univ of Michigan - Ann Arbor
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Giulia Galli
University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA, University of Chicago and Argonne National Laboratory, Pritzker School of Molecular Engineering, The University of Chicago
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Nonlocal Density Embedding Theory
ORAL
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Presenters
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Wenhui Mi
Department of Chemistry &Department of Physics, Rutgers University,Newark
Authors
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Wenhui Mi
Department of Chemistry &Department of Physics, Rutgers University,Newark
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Michele Pavanello
Rutgers University, Newark, Chemistry / Physics, Rutgers University-Newark, Department of Chemistry &Department of Physics, Rutgers University,Newark
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Modeling device-level semiconductors and their interfaces by orbital-free DFT
ORAL
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Presenters
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Xuecheng Shao
Rutgers University, Newark, Chemistry / Physics, Rutgers University-Newark
Authors
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Xuecheng Shao
Rutgers University, Newark, Chemistry / Physics, Rutgers University-Newark
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Kaili Jiang
Chemistry / Physics, Rutgers University-Newark
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Michele Pavanello
Rutgers University, Newark, Chemistry / Physics, Rutgers University-Newark, Department of Chemistry &Department of Physics, Rutgers University,Newark
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