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Academic interests
My research interests lie at the interface of catalysis and the understanding of structure–property and structure–reactivity relationships in coordination compounds. I focus on how ligand design and electronic structure influence catalytic activity, selectivity, and reaction mechanisms, with particular emphasis on transition-metal-mediated transformations, including CO₂ conversion and cross-coupling reactions. By combining data-science and computational chemistry approaches, such as density functional theory, with experimental insights, I aim to uncover the fundamental principles that govern reactivity and to guide the rational design of more efficient and sustainable catalysts.
In my DS Train project, I am focusing on the data-driven design of heterogenized electrocatalysts for the reduction of CO₂ to C₂ products. The goal is to combine computational modeling and machine learning approaches to understand how catalyst structure-reactivity relationships influence activity and selectivity, guiding the rational design of efficient and selective electrocatalysts for sustainable CO₂ conversion.
Background
I earned my Ph.D. at the Universidade de São Paulo (Prof. Ataualpa A. C. Braga), studying palladium-catalyzed Buchwald–Hartwig aminations via DFT and spending a year at the University of Oxford (Prof. John E. McGrady) on theoretical studies of open-shell complexes. I then completed postdoctoral research at the Instituto Tecnológico de Aeronáutica (Prof. René F. K. Spada) on spin-crossover phenomena and at UNICAMP (Prof. André L. B. Formiga) on ligand design for CO₂ conversion. I am currently a DS Train postdoctoral researcher at the University of Oslo (UiO), developing the #HETCO2 project on ligand design and mechanistic strategies for CO₂ reduction.