3 papers
cond-mat.mtrl-sci2025
Self-consistent layer-projected scissors operator for band structures of complex 2D van der Waals materials
Dario A. Leon, Mikael Kuisma, Mikkel Ohm Sauer +6
We introduce a computationally efficient method to calculate the quasiparticle (QP) band structure of general van der Waals (vdW) heterostructures. A layer-projected scissors (LAPS…
cond-mat.mtrl-sci2025
Dispersion-corrected Machine Learning Potentials for 2D van der Waals Materials
Mikkel Ohm Sauer, Peder Meisner Lyngby, Kristian Sommer Thygesen
Machine-learned interatomic potentials (MLIPs) based on message passing neural networks hold promise to enable large-scale atomistic simulations of complex materials with ab initio…
cond-mat.mtrl-sci2021
Optical Emission from Light-like and Particle-like Excitons in Monolayer Transition Metal Dichalcogenides
Mikkel Ohm Sauer, Carl Emil Mørch Nielsen, Lars Merring-Mikkelsen +1
Several monolayer transition metal dichalcogenides (TMDs) are direct band gap semiconductors and potentially efficient emitters in light emitting devices. Photons are emitted when…