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François Gygi

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Related publications (3)

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.

Quantum vibronic effects on the electronic properties of solid and molecular carbon

François Gygi, Michele Ceriotti, Han Yang

We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In addition to avoidi ...

AMER PHYSICAL SOC2021

Reproducibility in density functional theory calculations of solids

François Gygi, Nicola Marzari, Gian-Marco Rignanese, Lorenzo Paulatto, Ivano Eligio Castelli, Matthias Scheffler

The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the ...

American Association for the Advancement of Science2016

Effects of interparticle interactions on electronic excitations in semiconductors

EPFL1988