5k citations · 5.3k across the 3 of their papers we have counts for
4 papers
Thermal dependence of the hydrated proton and optimal proton transfer
Félix Mouhat, Matteo Peria, Tommaso Morresi +3
Water is a key ingredient for life and plays a central role as solvent in many biochemical reactions. However, the intrinsically quantum nature of the hydrogen nucleus, revealing i…
Structure and Chemistry of Graphene Oxide in Liquid Water from First Principles
Félix Mouhat, François-Xavier Coudert, Marie-Laure Bocquet
Graphene oxide is a rising star among 2D materials, yet its interaction with liquid water remains a fundamentally open question: experimental characterization at the atomic scale i…
Fully quantum description of the Zundel ion: combining variational quantum Monte Carlo with path integral Langevin dynamics
Félix Mouhat, Sandro Sorella, Rodolphe Vuilleumier +2
We introduce a novel approach for a fully quantum description of coupled electron-ion systems from first principles. It combines the variational quantum Monte Carlo (QMC) solution…
Necessary and Sufficient Elastic Stability Conditions in Various Crystal Systems
Félix Mouhat, François-Xavier Coudert
While the Born elastic stability criteria are well-known for cubic crystals, there is some confusion in the literature about the form it should take for lower symmetry crystal clas…