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

Laboratoire Structure et Dynamique par Résonance Magnétique (LSDRM)

(ex Service Interdisciplinaire sur les Systèmes Moléculaires et les Matériaux - SIS2M)
(ex Service de Chimie Moléculaire - SCM)

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Zotero Groups


senior scientist - DSM / IRAMIS / NIMBE/ LSDRM since 1998

Research Interests

Solid State NMR: Theory, Simulation and Methodology 

First-Principles NMR: Ab-initio Calculations of NMR parameters applied to Glass Studies




Materials Studies: Structural characterization of Nuclear Waste Materials (Glass, Cements, Ceramics), Hydrogen Storage Materials

Radioactive NMR: Tritium MAS NMR


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

PhD position offers 2015





81 publications, h-index 21, Number of citations 1183 (10/2013)


The First 3H MAS NMR experiments !

Measurement of Long-Range Interatomic Distances by Solid-State Tritium-NMR Spectroscopy,
A.K. Yuen, O. Lafon, T. Charpentier, M. Roy, F. Brunet, P. Berthault, D. Sakellariou, B. Robert, S. Rimsky, F. Pillon, J.-C. Cintrat, B. Rousseau,  J. Am. Chem. Soc. 2010, 132, 1734-+

Longest distance measured by NMR !

Spectroscopy Now.

Publications 2013

Influence of the nature of self-assembled monolayers on their reactivity under ionizing radiation : a solid state NMR study,
S. LeCaer, F. Brunet, C. CHATELAIN, L. LADEVIE, D. DURAND, V. Dauvois, J. P. RENAULT and T. Charpentier. Journal of Physical Chemistry C, accepted.

Influence of lanthanum on borosilicate glass structure: A multinuclear MAS and MQMAS NMR investigation,
F. Angeli, T. Charpentier, E. Molières, A. Soleilhavoup, P. Jollivet, S. Gin, Journal of Non-crystalline Solids, (2013) 375, 180-198.

Comparison of radiation and quenching rate effects on the structure of a sodium borosilicate glass,
S. Peuget, E. A. Maugeri, T. Charpentier, C. Mendoza, M. Moskura, T. Fares, O. Bouty, C. Jégou, Journal of Non-Crystalline Solids (2013) 378 201-212.

Computational simulations of solid state NMR spectra: a new era in structure determination of oxide glasses,
Thibault Charpentier, Maria Cristina Menziani, Alfonso Pedone, RSC Adv. (2013) 3, 10550-10578 . MD-GIPAW Review

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass,
F. Vasconcelos, S. Cristol, J.F. Paul, L. Delevoye, F. Mauri, T. Charpentier, G. Le Caër, Journal of Physics-Condensed Matter (2013) 25, 255402 .

Solid-State NMR spectroscopic studies of propylphosphonic acid functionalized SBA-15 mesoporous silica: characterization of hydrogen-bonding interactions,
Nicolas Bibent, Thibault Charpentier, Sabine Devautour-Vinot, Ahmad Mehdi, Philippe Gaveau, François Henn, Gilles Silly, European Journal of Inorganic Chemistry 13 (2013) 2350–2361.

New insights into the structure of oxynitride NaPON phosphate glasses by 17-oxygen NMR,
F. Muñoz, L Delevoye, L. Montagne, T. Charpentier, Journal of Non-Crystalline Solids (2013) 363, 134-139.

Study of formation and sequential relaxation of paramagnetic point defects in electron-irradiated Na-aluminosilicate glasses: Influence of Yb,
V. Pukhkaya, T. Charpentier, N. Ollier, Journal of Non-Crystalline Solids 364 (2013) 1-8.

Full list of publications

First GIPAW NMR in Glass

First-Principles Calculation of 17O, 29Si and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses, T. Charpentier, S. Ispas, M. Profeta, F. Mauri, C.J. Pickard,  J. Phys. Chem. B 108 (2004) 4147-4161.

Spectroscopy now


2004-2008 "Introduction à la RMN du Solide" MASTER recherche ENS Chimie Paris

2011, NMR Winter School, CEA Saclay November 28 - December 2 INSTN .

EPJ Web of Conferences, NMR of Amorphous Materials , T. Charpentier (Open Access)

2013 Events

October 2013, CECAM Tutorial "Calculation of Solid-State NMR and EPR Parameters Using the GIPAW Method"

March 2013, 2nd GERM NMR School

May 2013, Nucleation and crystallization in vitreous materials (School)

September 2013, 2nd International Summer School on Nuclear Glass Wasteform: Structure, Properties and Long-Term Behavior Wasteform (School)


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



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