Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2026
First-Principles Insights into Surface and Ligand Effects in Stoichiometric HgTe Quantum Dots
Raagya Arora, Patrick J. Lohr, Dibyajyoti Ghosh +2
HgTe quantum dots are promising mid-infrared nanomaterials owing to their exceptional bandgap tunability, yet their electronic structure is strongly influenced by surface coordinat…
cond-mat.mtrl-sci2026
Agentic multi-fidelity learning of quasiparticle and excitonic properties
Arnab Neogi, Aaron Forde, Christopher A. Lane +2
Many-body GW-Bethe-Salpeter equation calculations are essential for accurate simulations of electronic structure and optical properties in modern low-dimensional nanomaterials. How…