Prof. Carles Bo
Carles Bo was born in El Vendrell (Baix Penedès) in 1963. He graduated in Chemistry in 1986 at the University of Barcelona, and obtained a M.Sc. degree in 1988 for studies on homogeneous catalysis.
He continued research focusing on computational chemistry and obtained his Ph.D. degree in 1992 under the supervision of Prof. J. M. Poblet. The thesis dealt with the topological analysis of the electronic charge density function in transition metal compounds.
During his thesis studies he visited the Laboratoire de Chimie Quantique (Strasbourg, France) several times and carried out research work under the guidance of Profs. Dedieu and Bénard, and later he spent a short post-doctoral stay at Prof. Baerends’ group in Amsterdam.
Prof. Bo holds an Assistant Professor position in Physical Chemistry at the University Rovira i Virgili (Tarragona) since 1995.
His research activities focus on the application of computational methods to study systems that contain transition metal atoms, paying special attention to solving chemical problems in close collaboration with experimentalists. Reseach topics include a variety of transition metal complexes, metalocarbohedrens, metalofullerenes and polioxometalates.
Lately, he has been doing research on the structure and reactivity of organometallic compounds, and on homogeneous catalysis reaction mechanisms (CO2 fixation, organo-catalysis) pursuing a better understanding of the effects induced by the catalysts and ligands, and of the role of steric and electronic interactions.
Prof. Bo develops computer codes and is co-author of Xaim, a program to analyze charge density functions, and of ADF, the Amsterdam Density Functional package. Recently, he has led the development of a new Web interface, www.iochem-bd.org, designed to manage computational chemistry results and to facilitate research and data mining.
About ICIQ
About the Institute of Chemical Research of Catalonia (ICIQ)
ICIQ is a public foundation dedicated to chemical research aimed at addressing global challenges such as the climate emergency and human health. Recognised with two Severo Ochoa Centers of Excellence accreditations since 2014, the centre hosts 250 researchers distributed across 19 research groups focused on sustainable catalysis, renewable energies, and decarbonization, as well as molecular medicine. These groups drive frontier research using both computational and experimental tools. ICIQ scientists have secured a total of 26 projects funded by the European Research Council (ERC), and nine of them are ICREA professors (Catalan Institution for Research and Advanced Studies). Located in Tarragona, ICIQ works closely with industry to enhance its competitiveness, fostering the development of innovative applications and the training of qualified professionals. As a CERCA centre and a member of the Barcelona Institute of Science and Technology (BIST), ICIQ is committed to sustainable and equitable development, open science, and the social impact of research. More information at www.iciq.cat © 2025. All rights reserved.
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