2 papers
cond-mat.mtrl-sci2026
A flexible kinetic Monte Carlo framework for GaN molecular beam epitaxy with adaptive on-the-fly barrier evaluation
Sajid Ali, Norbert Krause, Carla Verdi
We present a lattice-based kinetic Monte Carlo (KMC) framework for simulating GaN(0001) growth by molecular beam epitaxy. The framework captures the key microscopic processes gover…
cond-mat.mtrl-sci2025
Automated Modeling of Polarons: Defects and Reactivity on TiO(110) Surfaces
Firat Yalcin, Carla Verdi, Viktor C. Birschitzky +3
Polarons are widespread in functional materials and are key to device performance in several technological applications. However, their effective impact on material behavior remain…