Supervisor: Prof. Feliu Maseras
Project: Searching new descriptors for catalysis
Reference: PhD 2020-04
Description of the project: The use of statistical techniques, within the more general field of machine learning is having a growing impact in catalysis. In this project we intend to extend our previous work on metal-ligand bonding and C-H activation to other processes in homogeneous catalysis.
Preferred skills or background: Preferred skills or background: Master in chemistry, chemical engineering or related matter. Experience in the use of Gaussian16 or related code using density functional theory.