4 citations · 6 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 1 cited
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…
physics.chem-ph2019★ 1 cited
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…