معرفی
Josep M. Luis is an Associate Professor in the Department of Chemistry at the Faculty of Sciences, University of Girona (UdG), and a leading researcher at the Institute of Computational Chemistry and Catalysis (IQCC). He leads the Research Group on Design and Modeling of Transition Metal Catalyzed Reactions (DiMoCat), focusing on advanced computational methods in physical and theoretical chemistry.
Research Interests: His work spans computational and theoretical chemistry, with emphasis on nonlinear optical properties, density functional theory development, vibrational contributions to molecular responses, and mechanistic studies of transition metal-catalyzed reactions, including CH activation, water oxidation, and CO2 reduction. He develops novel methodologies for property decomposition and electric field effects in catalysis.
Publications and Research Trends: His recent publications reflect a strong focus on methodological innovation in quantum chemistry, particularly in origin-independent decomposition of (hyper)polarizabilities, vibrational effects in nonlinear optics, and the design of new DFT functionals. A recurring theme is the application of computational tools to predict and enhance catalytic efficiency, with increasing attention to sustainable energy applications.
- Scientific Awards:
- Extraordinary Doctoral Thesis Award (UdG) – awarded to three of his PhD students
- Best Article of 2018 – by the Computational Chemistry Group of RSEQ
Advising and Grants: He has supervised ten PhD theses and currently mentors three doctoral students. His group includes a postdoctoral fellow and five PhD candidates. His research is supported by competitive grants from the Spanish Ministry of Science and Innovation (MCIyU, PID2022-140666NB-C22) and the Donostia International Physics Center (DIPC_INV_003133).
Laboratory and Collaborations: As part of the DiMoCat research group at IQCC, he collaborates internationally with renowned theoretical chemists, including Prof. B. Kirtman (UCSB), Dr. H. Reis (Greece), Dr. R. Zalesny (Poland), Prof. Z.-R. Li (China), and B. Osmialowski (Poland), fostering a globally connected research environment.
