409 citations · 1.1k across the 33 of their papers we have counts for
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High-Throughput Quantification of Altermagnetic Band Splitting
Ali Sufyan, Brahim Marfoua, J. Andreas Larsson +2
Altermagnetism represents a recently established class of collinear magnetism that combines zero net magnetization with momentum-dependent spin polarization, enabled by symmetry co…
High-Throughput Exploration of NV-like Color Centers Across Host Materials
Oscar Groppfeldt, Joel Davidsson, Rickard Armiento
Point defects in semiconductors offer a promising platform for advancing quantum technologies due to their localized energy states and controllable spin properties. Prior research…
WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
Filip Ekström Kelvinius, Oskar B. Andersson, Abhijith S. Parackal +3
Crystalline materials often exhibit a high level of symmetry. However, most generative models do not account for symmetry, but rather model each atom without any constraints on its…
Theoretical characterization of NV-like defects in 4H-SiC using ADAQ with the SCAN and r2SCAN meta-GGA functionals
Ghulam Abbas, Oscar Bulancea-Lindvall, Joel Davidsson +2
Kohn-Sham density functional theory (DFT) is widely used for screening color centers in semiconductors. While the Perdew-Burke-Ernzerhof (PBE) functional is efficient, it often lac…