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Number of documents

9

Carine MICHEL


Education

HDR Computational Studies Across Catalysis, Ecole Normale Supérieure de Lyon, June 2016.
Ph.D.Études théoriques de la réactivité chimique : des méthodes statiques à la métadynamique, under the supervision of Pr. A. Milet, Université Joseph Fourier, June 2007
Master of Physical Chemistry, Université Joseph de Lyon, 2004

Positions


2009 - : Chargée de recherché CNRS

Laboratoire de Chimie de l’ENS de Lyon, France

2008 - 2009: Agrégée préparateur (temporary position with research and teaching duties)

ENS de Lyon, Lyon, France

2008-2009: Research Assistant,

with Pr. Evert Jan Baerends, VU University, Amsterdam, The Netherlands

2007-2008: Allocation couplée de recherche (PhD with teaching duties)

Université Joseph Fourier, Grenoble, France

Distinctions

2015: Médaille de Bronze du CNRS

Research interests

•Modelling chemical reactivity using DFT calculations and rare events methods.
•Catalytic transformation of bio-source platforms into chemicals.
•Interfaces: structure, properties, reactivity

Research management

•Co-Animation of a research group (8 permaments, roughly 20 members)
•PhD graduate under my (co)-supervision4
•PhD currently under my (co)-supervision5
•PostDoc that worked under my (co)supervision7
•PostDoc that are currently working under my (co)-supverision0

 


40773   

Journal articles6 documents

  • Paul Clabaut, Benjamin Schweitzer, Andreas Götz, Carine Michel, Stephan Steinmann. Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations. Journal of Chemical Theory and Computation, American Chemical Society, 2020, 16 (10), pp.6539-6549. ⟨10.1021/acs.jctc.0c00632⟩. ⟨hal-02998070⟩
  • Romain Réocreux, Carine Michel, Paul Fleurat-Lessard, Philippe Sautet, Stephan Steinmann. Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface. Journal of Physical Chemistry C, American Chemical Society, 2019, ⟨10.1021/acs.jpcc.9b09863⟩. ⟨hal-02359361⟩
  • Benjamin Schweitzer, Stephan Steinmann, Carine Michel. Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H 2 O/Pt(111) interface. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (10), pp.5368-5377. ⟨10.1039/C8CP06331A⟩. ⟨hal-02077898⟩
  • Stephan Steinmann, Rodrigo Ferreira de Morais, Andreas Götz, Paul Fleurat-Lessard, Marcella Iannuzzi, et al.. Force Field for Water over Pt(111): Development, Assessment, and Comparison. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (6), pp.3238 - 3251. ⟨10.1021/acs.jctc.7b01177⟩. ⟨hal-01817174⟩
  • Geun Ho Gu, Benjamin Schweitzer, Carine Michel, Stephan N. Steinmann, Philippe Sautet, et al.. Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111). Journal of Physical Chemistry C, American Chemical Society, 2017, 121 (39), pp.21510 - 21519. ⟨10.1021/acs.jpcc.7b07340⟩. ⟨hal-01641026⟩
  • Stephan N. Steinmann, Paul Fleurat-Lessard, Andreas W. Götz, Carine Michel, Rodrigo Ferreira de Morais, et al.. Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on metal surfaces”. Journal of Computational Chemistry, Wiley, 2017, 38 (24), pp.2127-2129. ⟨10.1002/jcc.24861⟩. ⟨hal-01561684⟩

Conference papers3 documents

  • Stephan N. Steinmann, Carine Michel, Paul Fleurat-Lessard. A Force Field for Water Over Pt(111): Development, Assessment And Comparison. Rencontre scientifique of IFP Energies nouvelles – Slimaia, Mar 2018, Reuil-Malmaison, France. ⟨hal-02077759⟩
  • Benjamin Schweitzer, Carine Michel, Stephan N. Steinmann. Group additivity for adsorbed polyols at a Pt (111) surface under aqueous conditions. ACS Spring Meeting, Apr 2017, San Francisco, United States. ⟨hal-02077878⟩
  • Benjamin Schweitzer, Stephan N. Steinmann, Carine Michel. Group additivity for biomass derived polyols adbsorbed at a Pt(111) surface under aqueous conditions. International Symposium on Green Chemistry, Mar 2017, La Rochelle, France. ⟨hal-02077877⟩