Publications by authors named "Felix Mouhat"

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Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer.
Félix Mouhat, Matteo Peria, Tommaso Morresi, Rodolphe Vuilleumier, Antonino Marco Saitta

Nat Commun· October 2023

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Structure and chemistry of graphene oxide in liquid water from first principles.
Félix Mouhat, François-Xavier Coudert, Marie-Laure Bocquet

Nat Commun· March 2020

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Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics.
Félix Mouhat, Sandro Sorella, Rodolphe Vuilleumier, Antonino Marco Saitta, Michele Casula

J Chem Theory Comput· June 2017

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Fermi resonance in CO: Mode assignment and quantum nuclear effects from first principles molecular dynamics.
Marie Basire, Félix Mouhat, Guillaume Fraux, Amélie Bordage, Jean-Louis Hazemann

J Chem Phys· April 2017

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Softening upon Adsorption in Microporous Materials: A Counterintuitive Mechanical Response.
Félix Mouhat, David Bousquet, Anne Boutin, Lila Bouëssel du Bourg, François-Xavier Coudert

J Phys Chem Lett· November 2015

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