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MoireKP: An Automated Workflow for Symmetry-Constrained Moiré Continuum Models

Zhang, Yan et al.
arXiv (All) · Papers
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computational-physicsmaterials-sciencemesoscale-and-nanoscale-physics
First-principles Hamiltonians contain the electronic information needed to study moiré materials, but their size makes subsequent calculations costly. We present MoireKP, an automated workflow for constructing compact continuum models from localized-orbital ab initio Hamiltonians. The workflow const
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