Gaussian-process density prediction with long-range LOVV descriptors extrapolates from 3×3 displaced bilayers to twisted moiré supercells of >1000 atoms with meV-level band errors.
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Long-Range Machine Learning of Electron Density for Twisted Bilayer Moir\'e Materials
Gaussian-process density prediction with long-range LOVV descriptors extrapolates from 3×3 displaced bilayers to twisted moiré supercells of >1000 atoms with meV-level band errors.