123 citations · 131 across the 7 of their papers we have counts for
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Two-dimensional materials as ideal substrates for molecular quantum emitters
Haiyuan Wang, Nicolas Stenger, Peder Lyngby +3
The generation and manipulation of non-classical states of light is central to quantum technologies. Color centers in insulators have been extensively studied for single-photon gen…
Bayesian optimization of atomic structures with prior probabilities from universal interatomic potentials
Peder Lyngby, Casper Larsen, Karsten Wedel Jacobsen
The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often strug…
Ab initio property characterisation of thousands of previously unknown 2D materials
Peder Lyngby, Kristian Sommer Thygesen
We perform extensive density functional theory (DFT) calculations to determine the stability and elementary properties of 4249 previously unexplored monolayer crystals. The monolay…