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Modeling Strain and Moiré Effects in Large-Scale Reconstructions

Large-scale reconstructions, nanostructures, defects and moire patterns typically entail length scales of several nanometers. Their ab-initio modeling thus requires unit cells with a prohibitively large number of atoms. For example, the unit cell of magic-angle bilayer graphene, featuring superconducting many-body states, includes around 12 000 carbon atoms. [more]
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