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Prof. Feliu Maseras
Improving the efficiency of catalytic processes by computational methods.
Research
Computational chemistry, in particular DFT and DFT/MM methods, are applied to the study of a variety of chemical processes of practical interest. The main focus is homogeneous catalysis in collaboration with experimental groups. Ongoing research topics include also photocatalysis, mechanochemistry and organic electrosynthesis.
Highlighted Publications
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2024 | Artificial Intelligence Chemistry
Hidden descriptors: Using statistical treatments to generate better descriptor sets
Research groups: Prof. Feliu Maseras
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2023 | Chem
Charge-controlled Pd catalysis enables the meta-C–H activation and olefination of arenes
Research groups: Prof. Feliu Maseras
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2022 | J. Am. Chem. Soc.
Introducing the Catalytic Amination of Silanes via Nitrene Insertion
Research groups: Prof. Feliu Maseras
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2021 | ChemSusChem.
Understanding ball milling mechanochemical processes with DFT calculations and microkinetic modeling
Research groups: Prof. Feliu Maseras
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31-01-2025 - 14-02-2025 
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