Search Results for author: Aris Marcolongo

Found 3 papers, 3 papers with code

Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials

1 code implementation8 Jan 2019 Tobias Binninger, Aris Marcolongo, Matthieu Mottet, Valéry Weber, Teodoro Laino

Superior stability and safety are key promises attributed to all-solid-state batteries (ASSBs) containing solid-state electrolyte (SSE) compared to their conventional counterparts utilizing liquid electrolyte.

Materials Science Chemical Physics

Heat transport in insulators from ab initio Green-Kubo theory

4 code implementations22 Feb 2018 Stefano Baroni, Riccardo Bertossa, Loris Ercole, Federico Grasselli, Aris Marcolongo

The Green-Kubo theory of thermal transport has long be considered incompatible with modern simulation methods based on electronic-structure theory, because it is based on such concepts as energy density and current, which are ill-defined at the quantum-mechanical level.

Statistical Mechanics Computational Physics

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