20 citations · 20 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024
Predicting the Inorganic Exciton Peak Position in 2D Hybrid Organic-Inorganic Perovskites from Hybrid Density Functional Theory
Svenja Janke
Modelling the inorganic exciton contribution to 2D hybrid organic-inorganic perovskites is essential to understand their properties and screen for new materials. Here, we combine h…
physics.chem-ph2023★ 20 cited
Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces
James Gardner, Daniel Corken, Svenja M. Janke +2
Independent electron surface hopping (IESH) is a computational algorithm for simulating the mixed quantum-classical molecular dynamics of adsorbate atoms and molecules interacting…