Research topics: ab initio and classical calculations
Electric fields, Miller experiments and ab initio prebiotic chemistry
PNAS (2014) (Ab initio Miller experiments)
J. Phys. Chem. B (2014) (Ice under electric field)
Phys. Rev. Lett. (2012) (Water under electric field)
Properties of water and aqueous solutions under extreme conditions in all its forms: amorphisation, phase transitions between disordered forms, structure of those phases, supercritical water
Phys. Rev. B (2014) (Nuclear Quantum Effects in high-pressure ice)
J. Chem. Theory Comput. (2014) (Quantum Monte-Carlo study of Zundel ion)
Phys. Rev. Lett. (2013) (Water diffusion in the Gigapascal range)
J. Chem. Phys. (2011) (Van der Waals effects in ambient and supercritical water)
Phys. Rev. Lett. (2011) (Polyamorphic salty ice)
Nature Materials (2009) (High pressure salty ice)
Structural and thermodynamic properties of molecular solids, fluids and minerals under pressure
Sci. Rep. (2014) (High-pressure superconducting nitride)
Phys. Rev. B (2014) (Ionic ammonia ice)
Phys. Rev. Lett. (2013) (High-energy density CO/N2 crystal)
Phys. Rev. Lett. (2012) (Superionic ammonia ice)
Phys. Rev. Lett. (2009) (High pressure CO2)
Nature Materials (2007) (High-pressure phosphorus)
Ab initio calculations of the electronic and vibrational properties of carbon nano-systems: nanotubes, graphène mono-, bi-layers and nanoribbons, graphite intercalated compounds, clathrates, quantum wires
Phys. Rev. B (2011) (Work function in doped graphene)
EuroPhys. Lett. (2011) (Iron-based molecules on graphene)
J. Am. Chem. Soc. (2010) (Graphene nanoribbons)
Phys. Rev. Lett. (2008) (Graphene nanoribbons)
Phys. Rev. Lett. (2008) (Non-adiabatic DFT)
Phys. Rev. Lett. (2007) (Carbon nanotubes)
Ongoing grants
DIM OxyMORE « Prebiotic chemistry and surface electric fields » (2013-2016)
Project ANR-Blanc International «  PACS – Water Electrolytes Solutions in Extreme Conditions: Amorphous, Crystalline and Superionic Phases  » (2013-2017)
Project ANR-Blanc «  MOFLEX – Molecular Fluids under Extreme Conditions  » (2013-2017)
Project ANR-Blanc « BCNOP – Synthesis of Novel High-Pressure Phases in the B–C–N–O–P System » (2012-2016)
Project ANR-Blanc « SOUMET – Impact of sulfur on the fate of economically critical metals in geological fluids » (2011-2015)
Previous grants
Project ANR-JCJC « HPQENS – Diffusion at extreme conditions » (2009-2013)
Projetc Emergence-UPMC « Supercritical solvation of precious metals » (2010-2013)
Bibliometric data (2014)
Total citations number > 2200
Total citations number in high-impact journals (IF ≥ Phys. Rev. Lett.) :  > 150
h-index = 25
9 feature articles
European High-Pressure Research Group Young Scientist Award (2006)

Yearly awarded since 1990 to a Young European Scientist having made breakthrough research in high-pressure science

European High Pressure Research Group
1. 2013-2017 Attribution de la Prime Investissement Recherche de niveau A de l'UPMC
2. 2009-2013 Attribution de la Prime Investissement Recherche de niveau A de l'UPMC
3. 2005-2009 Attribution de la Prime Encadrement Doctoral et de Recherche du Ministère de l'Enseignement Supérieur et de la Recherche
Publications (2014)
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