Research |
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 |
Primes |
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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CV |
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