Professeur des Universités, Sorbonne Université
Directeur de l’UMR8640

ENS – Département de chimie
24 rue Lhomond, 75005 Paris

Phone: +33 144323324
Office: E119

We propose below 8 sections. Every member of the department can choose which one he/she wants to use. You can also use new ones. We only ask everyone to keep the general aspect of the page (no change of font, color, size, etc). For the picture, it must be 250px wide.

Short bio

You can decide to write text or use bullet points as below

Education and professional experience

  • Short CV
  • List by date

Research interests

  • List of keywords and themes

Awards and distinctions

  • You can also list the membership to professional organizations (SCF, e.g.)

Supervised students and post-doctorants

  • Currents and formers


  • You can also list teaching materials (we can upload pdf documents to the website)

Significant publications

  1. You can choose the full list of publications (below) or only selected ones


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Stability and instability of the isoelectronic UO22+ and PaO2+ actinyl oxo-cations in aqueous solution from density functional theory based molecular dynamics Article de journal

R Spezia; B Siboulet; S Abadie; R Vuilleumier; P Vitorge

Journal of Physical Chemistry B, 115 (13), p. 3560–3570, 2011.

Résumé | Liens


An ab initio molecular dynamics study on the hydrolysis of the Po(IV) aquaion in water Article de journal

R Ayala; R Spezia; R Vuilleumier; J M Martínez; R R Pappalardo; E Sánchez Marcos

Journal of Physical Chemistry B, 114 (40), p. 12866–12874, 2010.

Résumé | Liens

Molecular property investigations of an ortho-Hydroxy schiff base type compound with the first-principle molecular dynamics approach Article de journal

A Jezierska-Mazzarello; R Vuilleumier; J J Panek; G Ciccotti

Journal of Physical Chemistry B, 114 (1), p. 242–253, 2010.

Résumé | Liens

Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water: Direct and indirect effects Article de journal

M -P Gaigeot; P Lopez-Tarifa; F Martin; M Alcami; R Vuilleumier; I Tavernelli; M -A Hervé du Penhoat; M -F Politis

Mutation Research - Reviews in Mutation Research, 704 (1-3), p. 45–53, 2010.

Résumé | Liens

Theoretical investigation of the ultrafast dissociation of core-ionized water and uracil molecules immersed in liquid water Article de journal

C R Stia; M -P Gaigeot; R Vuilleumier; O A Fojón; M -A Hervé Du Penhoat; M -F Politis

European Physical Journal D, 60 (1), p. 77–83, 2010.

Résumé | Liens


Ionization and fragmentation of water clusters by fast highly charged ions Article de journal

L Adoui; A Cassimi; B Gervais; J -P Grandin; L Guillaume; R Maisonny; S Legendre; M Tarisien; P López-Tarifa; M -F Politis; M -A H D Penhoat; R Vuilleumier; M -P Gaigeot; I Tavernelli; M Alcamí; F Martín

Journal of Physics B: Atomic, Molecular and Optical Physics, 42 (7), 2009.

Résumé | Liens

Improved modeling of liquid GeSe2: Impact of the exchange-correlation functional Article de journal

M Micoulaut; R Vuilleumier; C Massobrio

Physical Review B - Condensed Matter and Materials Physics, 79 (21), 2009.

Résumé | Liens


Polarizabilities of individual molecules and ions in liquids from first principles Article de journal

M Salanne; R Vuilleumier; P A Madden; C Simon; P Turq; B Guillot

Journal of Physics Condensed Matter, 20 (49), 2008.

Résumé | Liens

Water nanodroplets confined in zeolite pores Article de journal

F -X Coudert; F Cailliez; R Vuilleumier; A H Fuchs; A Boutin

Faraday Discussions, 141 , p. 377–398, 2008.

Résumé | Liens

Time-dependent density functional theory molecular dynamics simulations of liquid water radiolysis Article de journal

I Tavernelli; M -P Gaigeot; R Vuilleumier; C Stia; M -A H Du Penhoat; M -F Politis

ChemPhysChem, 9 (14), p. 2099–2103, 2008.

Résumé | Liens

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