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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