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GAUTIER Régis

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ENSCR Professor
Head of the group

Institut des Sciences Chimiques de Rennes UMR 6226
Ecole Nationale Supérieure de Chimie de Rennes
Avenue du Général Leclerc, CS 50837
35708 Rennes Cedex 7, France

Desk 204
Phone: +33 (0) 2.23.23.81.22
Email: rgautier@ensc-rennes.fr

Education and professional experience

  • University of Rennes 1, France (1995-1998), PhD in theoretical chemistry
  • Max Planck Institute for Solid State Research, Stuttgart, Germany (1998-1999), O. K. Andersen’s group, CNRS-MPG post-doctoral fellow
  • Rennes, France (1999-2010), Ass. Prof.
  • University of Rennes, France (2005), D. Sc. in chemistry (Habilitation à diriger des recherches)
  • ENSC Rennes, France (2010-), Prof.
  • University College London, UK (Jan-Jul 2011), C. J. Pickard’s group, visiting scientist

Current themes of research

  • Bonding and structure-properties relationships in transition metal solids (functional nitrides, transition metal clusters, borides & borocarbides, vanadophosphates,...).
  • Computations of solid-state NMR parameters.

Keywords

Electronic structure, quantum chemistry, computational chemistry, materials modelling, density functional theory (DFT), transition metal clusters, nitrides, borides, borocarbides, vanadophosphates, solid-state NMR, thermoelectrics

Teaching

  • Introduction to quantum chemistry
  • Computer sciences
  • Molecular modelling
  • Solid-state theoretical chemistry
  • Chemometrics & data analysis

Publications referenced in HAL