Green Chemistry
MSc. Adenilson Felipe Sousa Silva is currently a PhD candidate in Chemistry at the Universitat Autònoma de Barcelona (UAB), where he conducts research in the field of green chemistry, with a particular interest in the application of computational chemistry to the investigation and design of novel catalytic materials.
Adenilson Felipe obtained his BSc degree in Chemistry from the Federal University of Piauí (UFPI), Brazil, in 2018, followed by an MSc degree in Inorganic Chemistry from the same institution in 2021. He is currently pursuing his PhD under the supervision of Dr. Xavier Solans-Monfort and Dr. Luis Rodríguez Santiago.
From transition-metal catalysts to heterogeneous catalysis
He has experience in computational modeling, employing density functional theory (DFT) calculations to investigate homogeneous catalysis in olefin metathesis, with a particular focus on transition-metal catalysts. During his PhD, his research focus shifted toward heterogeneous catalysis, particularly the computational investigation of ammonia synthesis on solid surfaces and nanoparticles.
His current research involves periodic DFT calculations for the computational design of iron-based catalysts with high activity for green ammonia synthesis through electrochemical processes.
Molecular properties of transition-metal complexes
Adenilson Felipe is currently an exchange student at the University of Oslo, working in the Hylleraas group under the supervision of Dr. David Balcells Badia. During his three-month stay, from October to December, he will study the application of Generalized Additive Models (GAMs) to predict molecular properties of transition-metal complexes while providing interpretable insights into structure–property relationships.
Stay:
- 1 th October 2026-05 January 2027.
- Office: Life Science Builiding, floor 3, quandrant 7.