Modeling structure and properties of transition metal complexes

Modeling structure and properties of transition metal complexes

Internship Description

This project is focused on the characterization of transition metal based catalysts using quantum mechanics approaches. The applicant will have to correlate the experimental behavior of families of catalysts based on a transition metal to the structure of the ligand coordinated to the metal using molecular descriptors.​

Deliverables/Expectations

​A scientific report summarizing the results of the research​

Faculty Name

Luigi Cavallo

Field of Study

​Computational chemistry; catalysis.