CORDIS Project
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This project focuses on enhancing the efficiency of palladium-catalyzed reactions by understanding how the chemical environment influences catalyst reactivity. It employs molecular dynamics modeling and machine learning to investigate the behavior of palladium catalysts in various solvents.
This project aims to develop an understanding of how the chemical environment (i.e. solvent, additive and ligand) can be adapted to tune the reactivity of transition metal catalysts, based on molecular dynamics modelling methods enhanced by machine learning.
Pd-catalysed cross-coupling reactions are widespread in research and industry.
The efficiency of these processes depends on a detailed molecular understanding of the catalytic cycles, which are highly sensitive to chemical environmental fact…
UNIVERSITETET I OSLO
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