Person
Oliviero Andreussi
This person is no longer with EPFL
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Related publications (19)
Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.
Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
Alfredo Pasquarello, Nicola Marzari, Francesco Ambrosio, Oliviero Andreussi, Zhendong Guo
Quantum mechanical simulations that include the effects of the liquid environment are highly relevant for the characterization of solid-liquid interfaces, which is crucial for the design of a wide range of devices. In this work we present a rigorous and sy ...
2019Continuum models of the electrochemical diffuse layer in electronic-structure calculations
Nicola Marzari, Oliviero Andreussi, Francesco Nattino, Matthew Truscott
Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science, it remains unclear which features ...
AMER INST PHYSICS2019Solvent-Aware Interfaces in Continuum Solvation
Nicola Marzari, Oliviero Andreussi, Francesco Nattino, Nicolas Georg Hörmann
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 computational condensed-matter and materials simulations. A key ingredient of co ...
AMER CHEMICAL SOC2019