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A locally ab initio computational framework for arbitrary incommensurate materials interfaces

Niedzielski, Drake et al.
arXiv (All) · Papers
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materials-scienceother-condensed-matter
Incommensurate materials interfaces constitute a broad and technologically important class of systems, yet their lack of shared periodicity limits predictive and computationally efficient first-principles electronic-structure methods. Here we introduce a scalable computational framework for construc
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