Paul Clabaut

École Normale Supérieure de Lyon — France

Physics and Astronomy · Physical Sciences

9h-index312citations30works0.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(18), Electrostatics and Colloid Interactions(11), Electrochemical Analysis and Applications(7), Electrocatalysts for Energy Conversion(4), Theoretical and Computational Physics(4)

Publications30 total

Beyond single-crystal surfaces: The GAL21 water/metal force field
The Journal of Chemical Physics·2022· 12 citedOpen Access
Beyond single-crystal surfaces: The GAL21 water/metal force field
2022Open Access
Beyond single-crystal surfaces: The GAL21 water/metal force field
2022· 4 citedOpen Access
How to gain atomistic insights on adsorption at the water/solid interface?
HAL (Le Centre pour la Communication Scientifique Directe)·2022
Mechanistic investigations at the alumina/water interfαace
HAL (Le Centre pour la Communication Scientifique Directe)·2022
Mechanistic Investigation and Free Energies of the Reactive Adsorption of Ethanol at the Alumina/Water Interface
The Journal of Physical Chemistry C·2022· 20 citedOpen Access
Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interface
2022· 4 citedOpen Access
Transferable Gaussian Attractive Potentials for Organic/Oxide Interfaces
The Journal of Physical Chemistry B·2021· 11 citedOpen Access
Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interface
2021· 1 citedOpen Access
Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interface
2021Open Access
Solvatation et adsorptions à l’interface solide/eau : Développements et applications
theses.fr (ABES)·2021Open Access
Designing Active Sites for Structure-Sensitive Reactions via the Generalized Coordination Number: Application to Alcohol Dehydrogenation
The Journal of Physical Chemistry C·2021· 12 citedOpen Access
Transferable Gaussian Attractive Potentials for Organic/oxide Interfaces
2021Open Access
Transferable Gaussian Attractive Potentials for Organic/oxide Interfaces
2021· 5 citedOpen Access
Investigating solvation at metal/water interfaces: the SolvHybrid tool fueled by the GAL forcefield
HAL (Le Centre pour la Communication Scientifique Directe)·2020
Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations
Journal of Chemical Theory and Computation·2020· 67 citedOpen Access
Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations
2020· 1 citedOpen Access
Water adlayers on noble metal surfaces: Insights from energy decomposition analysis
The Journal of Chemical Physics·2020· 26 citedOpen Access
Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations
2020Open Access
Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations
2020Open Access
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Frequent Co-authors

Stephan N. Steinmann(26), Carine Michel(25), Romain Réocreux(6), Jérôme Rey(6), Benjamin Schweitzer(5), Paul Fleurat‐Lessard(4), Ruben Staub(4), Joachim Galiana(3), Élise Antonetti(3), Matthieu Beisert(3), Sarah Blanck(3), Sophie Loehlé(3), Andreas Goetz(3), Etienne Girel(2), Jérôme Rey(2), A. Tuel(1), М. Бессон(1), Alexandra Chaumonnot(1), Amandine Cabiac(1), Philippe Sautet(1)