Computational Analysis of the use of Boron Clusters for the Depolymerization of Polyethylene

The intern will travel to the University of Jyväskylä’s Department of Chemistry, where they will be hosted in the group of Prof. Heikki M. Tuononen. The principal investigator host is a computational chemist of international recognition, University of Calgary alumnus, and longtime collaborator of Prof. Roland Roesler, the host in University of Calgary’ Department of Chemistry. Building on this fruitful contribution, the intern will learn computational chemistry, which is a branch of chemistry that uses computer simulations to assist in solving chemical problems. It employs algorithms and theoretical principles from chemistry, physics, and computer science to predict the structures, properties, and behaviors of molecules and materials. This allows the exploration of potential outcomes of chemical reactions, the design of new molecules with targeted properties, and gaining insights into the fundamental nature of chemical processes, all in a virtual environment. The object of the investigation will be specific boron clusters, which will be assessed as supports for catalysts for polyethylene degradation for the purpose of recycling. Boron clusters are polyhedral structures made up of boron atoms that are known for their unique chemical properties, including high thermal stability and the ability to attach to metals and forming complex structures.

Faculty Supervisor:

Roland Roesler

Student:

Partner:

Jyväskylän yliopisto

Discipline:

Physics

Sector:

Education

University:

University of Calgary

Program: