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CNRS researcher (CRCN)

Contact details

CEISAM UMR CNRS 6230, 2 rue de la Houssinière BP 92208, 44322 Nantes cedex 03

0251125743 (n° interne : 455743)

Taught academic discipline(s)

Practical sessions (45h): Informatics for chemists (L3 Phys/Chem), Molecular modelling (M1 A3M and M1 LUMOMAT)
Lecture (3h):  Hybrid QM/MM schemes (PO-RFCT)

Research topics

Applications: Absorption and emission simulations in complex systems, Ligand-Protein and protein-protein interactions, design of PPI inhibitors.
Methods: Quantum chemistry (DFT, TD-DFT, CC,..) , QM/MM approach (ONIOM, LSCF, EFP), molecular mechanics (homology modelling, molecular docking, molecular dynamics, ...).

Activities / Resume

Past and current positions:
  • 10/2016 -- Now: permanent CNRS researcher (Chargée de Recherche 1/Chargée de Recherche Classe Normale), University of Nantes (France).
  • 10/2012 --2016: permanent CNRS researcher (Chargée de Recherche 2), University of Nantes (France).
  • 01/2011-- 09/2012: Postdoctoral Fellow, University of Southern California (USA), Prof. Anna I.Krylov.
  • 10/2012 -- 11/2012:  HPC-Europa grant, Polytechnic University of Catalogne (Spain), Prof. Carlos Aleman.
  • 10/2007 -- 10/2010: PhD student, University of Lorraine, Nancy (France), Prof. Xavier Assfeld.

Here is my resume.

Additional informations

Recent publications (2018):
  •  M. M.  Lerch, M.  Medved, A.  Lapini, A.  D.  Laurent, A.  Iagatti,  L.  Bussotti,  W.  Szymanski,  W.  J.  Buma, P. Foggi, M. Di Donato,* B. L. Feringa*
    Solvent Effects on the Actinic Step of Donor-Acceptor Stenhouse Adduct Photoswitching.   Angew. Chem. Int. Ed. accepted (2018).
  • M. Di Donato, M. M.  Lerch, A.  Lapini, A.  D.  Laurent, A.  Iagatti,  L.  Bussotti,  S. P. Ihrig,  M.  Medved, D. Jacquemin,   W.  Szymanski,  W.  J.  Buma, P. Foggi, B. L. Feringa* Tailoring Photoisomerization Pathways in Donor-Acceptor Stenhouse Adducts: The Role of the Hydroxyl Group. J. Phys. Chem. A, 122,  955-964 (2018)