1 citations · 2 across the 3 of their papers we have counts for
3 papers
Implicit Solvation Methods for Catalysis at Electrified Interfaces
Stefan Ringe, Nicolas G. Hörmann, Harald Oberhofer +1
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polariza…
Band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
Nicolas G. Hörmann, Zhendong Guo, Francesco Ambrosio +3
In this work we study and contrast implicit solvation models against explicit atomistic, quantum mechanical models in the description of the band alignment of semiconductors in aqu…
Solvent-aware Interfaces in Continuum Solvation
Oliviero Andreussi, Nicolas Georg Hörmann, Francesco Nattino +3
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in comp…