Service Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Énergie (NIMBE)

Laboratoire Structure et Dynamique par Résonance Magnétique (LSDRM)

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Researcherid: A-3557-2010

ORCID: 0000-0002-3034-1389



CEA Research Director (2018) - DRF / IRAMIS / NIMBE/ LSDRM since 1998

Research Interests


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


126 publications, h-index 33



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.

Spectroscopy now

2017 Events

Computation of NMR properties.


2005-2011 Staff Member of GERM (

CECAM tutorial

Calculation of Solid-State NMR Parameters Using the GIPAW Method

CECAM-ETHZ & -UZH, Zurich, Switzerland, September 21, 2009 - September 24, 2009




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