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Open AccessHigh-throughput computational stacking reveals emergent properties in natural van der Waals bilayers
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments beyond the proof-of-principle ...
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Article
Open AccessTowards fully automated GW band structure calculations: What we can learn from 60.000 self-energy evaluations
We analyze a data set comprising 370 GW band structures of two-dimensional (2D) materials covering 14 different crystal structures and 52 chemical elements. The band structures contain a total of 61716 quasipa...