Boronat Zaragozá, Mercedes

Tenured Scientist (CSIC)


Degree in Chemistry (1987-1992) and PhD in Chemistry (1999) from the University of Valencia. After a post-doctoral stay at the Institute of Chemical Technology (1999-2001) and another one as a Junior Researcher at the CEAM Foundation (2001-2003), she joined the ITQ in 2004, and is currently a Scientific Researcher of CSIC in this center.

Her research line is the theoretical study of heterogeneous catalyzed reaction mechanisms. This includes modeling, by means of quantum-chemical methods, the electronic and structural properties of solid catalysts (zeolites, metal oxides, surfaces, nanoparticles and metal clusters isolated or supported in organic and inorganic materials), the interactions between catalysts and molecules involved in the reaction, including simulation of spectroscopic properties, identification and characterization of active centers participating in each elementary step, and the calculation of the activation energies that determine the kinetics of the reactions, with the aim of developing more efficient catalysts.

Co-author of 125 articles in prestigious international journals (Science, Nature Catalysis, Nature Chemistry, Nature Materials, J. Am. Chem. Soc., Angew. Chemie, ACS Catalysis, etc.) with high impact index, and two book chapters. She has participated in several projects funded by public entities, being principal investigator in six of them, as well as in research works developed in collaboration with companies such as BP, Repsol-YPF and Solvay. Co-author of four patents and supervisor of five doctoral theses, one of them in progress.

Member of CURES (Committee of Users of the Spanish Supercomputing Network) since September 2019. Member of the Editorial Advisory Board of JACS Au journal since January 2021.