APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session D44: Real-Space Methods for the Electronic Structure Problem III
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Sponsoring Units: DCOMP
Chair: Angel Rubio, Max Planck Inst Structure & Dynamics of Matter
Room: 704
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D44.00001: Relaxation Effects in the Electronic Structure of Twisted Bilayer Graphene: a Multi-Scale Approach
Nicolas Leconte, Srivani Javvaji, Jiaqi An, Jeil Jung
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D44.00002: Dielectric response of aligned SWCNT films: A theoretical versus experimental study
Chandra Adhikari, Igor Bondarev
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D44.00003: Real-Space Calculations of Dielectric Screening in Large Silicon Nanocrystals
Timothy Liao, Kai-Hsin Liou, James Chelikowsky
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D44.00004: Superconductivity in heavily boron-doped carbon materials
Yuki Sakai, James Chelikowsky, Marvin L Cohen
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D44.00005: Discriminating functional groups, atomic species and molecular geometries in organic molecules using real-space simulations of non-contact atomic force microscopy
Dingxin Fan, Yuki Sakai, James Chelikowsky
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D44.00006: Time-dependent magnons from first principles
Nicolas Tancogne-Dejean, Florian G Eich, Angel Rubio
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D44.00007: A real-space pseudopotential method for magnetocrystalline anisotropy energies and the search for magnets without rare-earth metals
Masahiro Sakurai, James Chelikowsky
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D44.00008: Ab initio calculations of electron and nuclear spin interactions in molecules and solids using a mixed pseudopotential-all electron approach
Krishnendu Ghosh, He Ma, Vikram Gavini, Giulia Galli
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D44.00009: Nonlocal Density Embedding Theory
Wenhui Mi, Michele Pavanello
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D44.00010: Modeling device-level semiconductors and their interfaces by orbital-free DFT
Xuecheng Shao, Kaili Jiang, Michele Pavanello
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