Position
CEA Research Director (2018) – DRF / IRAMIS / NIMBE/ LSDRM since 1998
Research Interests
- Solid State NMR of Glasses
- DFT Computation in NMR and MD simulations of Glasses
- Nuclear Waste Materials Studies (Glass, Cements)
- Tritium MAS NMR
CV
06/2013-10/2013 Visiting Scientist at JRC-ITU (Karlsruhe) Project : MAS NMR of Actinide Compounds
2008 Accreditation to supervise research, Université Pierre et Marie Curie. “Solid state NMR of Nuclear Waste Materials“
2000 Post-doc., University of Berkeley (A. Pines)
1999 Awards, Louis Armand Prize, Académie des Sciences.
1995-1998 Ph.D. CEA Saclay, Dissertation title: High Resolution NMR fo Quadrupolar Nuclei in Solids, Université d’Orsay, Parix XI
1994-1995 Scientific Research at CEA DAM. Heavy Metal DFT calculations
1993-1994 MASTER 2 in Quantum Physics , Paris VI / ENS Ulm
1990-1994 Ecole Supérieure de Physique et Chimie Indistrielles (ESPCI) de la ville de Paris
Publications
Highlights : radiological MAS NMR
The first MAS NMR experiments of a radioactive glass
Self-healing capacity of nuclear glass observed by NMR spectroscopy,
T. Charpentier, L. Martel, A.H. Mir, C. Jégou, S. Peuget, Scientific Reports 6, 25499 (2016). doi:10.1038/srep25499.
Recent Publications
Publications récentes dans la base HAL-CEA / Recent publications within the HAL-CEA repository .
MD-GIPAW : in silico NMR of glasses
A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts, The Journal of Physical Chemistry C 120, 24370-24381 (2016), Y. Ishii, M. Salanne, T. Charpentier, K. Shiraki, K. Kasahara, N. Ohtori.
Calcium environment in silicate and aluminosilicate glasses probed by 43Ca MQMAS NMR experiments and MD-GIPAW calculations, Solid State Nuclear Magnetic Resonance 68-69, 31-36 (2015), E. Gambuzzi, A. Pedone, M.C. Menziani, F. Angeli, P. Florian, T. Charpentier.
⇒ Coming soon, first release of fpNMR, a tool for processing MD-GIPAW data and simulating 1D and 2D NMR spectra.
First-Principles Calculation of 17O, 29Si and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses, J. Phys. Chem. B 108 (2004) 4147-4161, T. Charpentier, S. Ispas, M. Profeta, F. Mauri, C.J. Pickard.
2017 Events
Computation of NMR properties.
Misc
2005-2011 Staff Member of GERM (http://www.germ.asso.fr)
CECAM tutorial
Calculation of Solid-State NMR Parameters Using the GIPAW Method
CECAM-ETHZ & -UZH, Zurich, Switzerland, September 21, 2009 – September 24, 2009