Karine COSTUAS

**COSTUAS Karine Address:** Theoretical Inorganic Chemistry Group *CNRS Senior Researcher* Institut des Sciences chimiques de Rennes karine.costuas@univ-rennes1.fr UMR 6226 CNRS - Université de Rennes 1 Avenue du Général Leclerc https://orcid.org/0000-0003-0338-0494 F-35042 Rennes Cedex, France ***Education*:** July 2009 Habilitation, University of Rennes 1 September 2000 Ph.D. in Chemistry, University of Rennes 1 June 1997 M. Sc. Chemistry (honors), University of Rennes 1 ***Professional*:** Oct. 2014 Promoted senior researcher at the CNRS January 2002 – present Researcher at the French “Centre National de la Recherche Scientifique” (CNRS), Institut des Sciences Chimiques de Rennes” (University of Rennes 1) July 2001 – Dec. 2001 Postdoctoral Fellow, ETH Zürich, (Switzerland) – Pr. Parrinello’s research group. Nov. 2000 – June 2001 Postdoctoral Fellow, Max-Planck Institute of Stuttgart, Stuttgart (Germany); Pr. Parrinello’s research group. ***Awards:*** 2006 Bronze Medal of the CNRS. 2000 Gineste Prize (annual award for the best chemistry Ph. D. thesis of the University of Rennes 1) ***Research Interests:*** Karine Costuas’ research centers on the understanding of the structural arrangement and the electronic structure of organometallic compounds using quantum mechanic calculations (Density Functional Theory). The physical properties of the studied systems are theoretically investigated in conjunction with experimental results. Her research topic concerns mainly mono- or poly-metallic complexes and lanthanide compounds that show (i) redox activity (mixed-valence, 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 which specific physical properties are targeted. Recently, she has been working on the study of modified surfaces featuring adsorbed molecules and molecular junctions. *Member of the French Chemical Society 1996-2019; Treasurer of the Division of Coordination Chemistry 2006-2009; Scientific secretary of the regional office 2016-2019. Scientific manager of the French network ThéMoSiA ("Théories, Modélisations et Simulations atomistiques") since 2023* ***Publications, Patent and Scientific Communications:*** - Co-author of 97 papers published in international scientific journals (h-index 41) - 1 chapter of book (among which 3 Angew. Chem. - 11 J. Am. Chem. Soc. - 1 Material Horizons - 1 Chem. Sci. - 4 Chem. Commun. -1 ACS Appl. Mater. Interfaces - 5 Chem. - Eur. J. - 3 Inorg. Chem. Front. - 1 J. Phys. Chem. Lett. - 15 Inorg. Chem. -1 Nanoscale Adv.) - International patent: N. Gouault, K.-H. Nguyen, S. Tomasi, K. Costuas - PCT Int. Appl., oct. 2014, WO 2014167225 A1 - 11 invited lectures at international conferences; 7 in French conferences; 46 oral communications