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CNRS Director of Research

Institut des Sciences Chimiques de Rennes UMR 6226
Université de Rennes 1
Campus de Beaulieu
35042 Rennes, France

Building 10B, Desk 215
Phone: +33 (0)

Current themes of research

Karine Costuas is specialized in the rationalization of the relationship between structural arrangement, electronic structure and physical properties through quantum chemical calculations (mainly DFT). Her research is mainly focused on coordination compounds of transition metals and/or lanthanides, either radical mono-metallic or poly-metallic complexes that show (i) redox activity (mixed-valency, electronic communication) (ii) magnetic behavior (magnetic coupling) (iii) optical properties (electronic excitation, emission). She is also interested in the theoretical design of new multifunctional compounds for molecular spintronics application, for which specific physical properties are required. Recently, she has been working on the study of modified surfaces featuring adsorbed molecules.


  • Applied quantum chemistry
  • Density functional theory
  • Organometallics
  • Lanthanides
  • Multifunctional

Education and professional experience

  • University of Rennes 1, France (2009), D. Sc. in Chemistry (Habilitation à diriger des recherches)
  • University of Rennes 1, Sciences Chimiques de Rennes, UMR CNRS 6226, France (2002-), CNRS researcher
  • Max Planck Institute, Stuttgart, Germany and ETH Zürich, Lugano, Switzerland (2000-2001), M. Parrinello’s group, post-doctoral fellow
  • University of Rennes 1, France (1997-2000), PhD in theoretical chemistry


Introduction to quantum chemistry

Membership in professional organizations

Member of the French Chemical Society since 1996. Treasurer of the Division of Coordination Chemistry 2006-2009

Committee work

  • University of Rennes 1 board regent (2012-2015)
  • Institute of Chemical Sciences of Rennes board regent (2011-2015)
  • Member of the committee of users of the Institute for Development and Resources in Intensive Scientific computing of the CNRS (2004-2009)


  • 2006 Bronze Medal of the CNRS
  • 2000 Gineste Prize (annual award for the best chemistry Ph.D. thesis of the University of Rennes 1)

Invited talks at Conferences: 18
Communications at Conferences: 40
Seminars in Laboratories: 15
Publications: 72
Book Chapter: 1
Patent: 1
Democratization of science: Regular intervention in schools and in science festivals.

Publications referenced in HAL