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Félix MOUHAT
Félix MOUHAT
Data Scientist
Adresse e-mail validée de saint-gobain.com
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Necessary and sufficient elastic stability conditions in various crystal systems
F Mouhat, FX Coudert
Physical review B 90 (22), 224104, 2014
29372014
Structure and chemistry of graphene oxide in liquid water from first principles
F Mouhat, FX Coudert, ML Bocquet
Nature communications 11 (1), 1566, 2020
1892020
Fully quantum description of the Zundel ion: combining variational quantum Monte Carlo with path integral Langevin dynamics
F Mouhat, S Sorella, R Vuilleumier, AM Saitta, M Casula
Journal of chemical theory and computation 13 (6), 2400-2417, 2017
302017
Softening upon adsorption in microporous materials: A counterintuitive mechanical response
F Mouhat, D Bousquet, A Boutin, L Bouëssel du Bourg, FX Coudert, ...
The Journal of Physical Chemistry Letters 6 (21), 4265-4269, 2015
282015
Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics
M Basire, F Mouhat, G Fraux, A Bordage, JL Hazemann, M Louvel, ...
The Journal of chemical physics 146 (13), 2017
252017
Charge transport simulations of NaCl in an external magnetic field: the quest for the Hall effect
F Mouhat, S Bonella, C Pierleoni
Molecular Physics 111 (22-23), 3651-3661, 2013
82013
Fully quantum dynamics of protonated water clusters
F Mouhat
Sorbonne université, 2018
32018
Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer
F Mouhat, M Peria, T Morresi, R Vuilleumier, AM Saitta, M Casula
Nature Communications 14 (1), 6930, 2023
12023
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