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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


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


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



Journal articles3 documents

  • Tao Wang, Javier Ibanez, Kang Wang, Lin Fang, Maarten Sabbe, et al.. Rational design of selective metal catalysts for alcohol amination with ammonia. Nature Catalysis, Nature Publishing Group, 2019, 2 (9), pp.773-779. ⟨10.1038/s41929-019-0327-2⟩. ⟨hal-02360177⟩
  • Alexandre Dumon, Tao Wang, Javier Ibanez, Ajay Tomer, Zhen Yan, et al.. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates. Catalysis Science & Technology, Royal Society of Chemistry, 2018, 8 (2), pp.611 - 621. ⟨10.1039/C7CY02208E⟩. ⟨hal-01817166⟩
  • Tao Wang, Zhen Yan, Carine Michel, Marc Pera-Titus, Philippe Sautet. Trends and Control in the Nitridation of Transition-Metal Surfaces. ACS Catalysis, American Chemical Society, 2018, 8 (1), pp.63-68. ⟨10.1021/acscatal.7b02096⟩. ⟨hal-01817156⟩

Conference papers4 documents

  • Wang Tao, Carine Michel, Maarten Sabbe, Marc Pera-Titus, Philippe Sautet. Alcohols selective aminations: A DFT based micro-kinetics modelling strategy for screening the promising heterogeneous catalysts. 253rd ACS National Meeting, Apr 2017, San Francisco, United States. ⟨hal-02021510⟩
  • Wang Tao, Carine Michel, Marc Pera-Titus, Philippe Sautet. Surface Nitridation Mechanism of Ni Catalyst in Alcohols Aminations. 16th International Conference on Theoretical Aspects of Catalysis, Jun 2016, Zakopane, Poland. ⟨hal-02021506⟩
  • Carine Michel, Wang Tao. Searching for Promising Catalysts in Alcohols Aminations by Using Scaling, BEP Relations and Micro-kinetics modeling. Satellite Symposium of 16th International Congress on Catalysis, Jul 2016, Xiamen, China. ⟨hal-02021509⟩
  • Carine Michel, Alexandre S. Dumon, Raphael Wischert, Marc Pera-Titus, Philippe Sautet. Alcohol amination catalyzed by metal supported catalysts: The role of co-adsorbed species revealed by DFT studies. 251st ACS National Meeting, Mar 2016, San Diego, United States. ⟨hal-02048972⟩