A New Approach to the Electronic Structure of Molecules

Back to search results
PROJECT DESCRIPTION

The chemist's traditional view of electronic structure allocates valence electrons to bonds or "lone pairs". This view has led to intuition which has allowed chemistry and its neighbouring disciplines to flourish. However, chemists do not find that theory supports the notion of local bonds or lone pairs. This is not because the theory is wrong, but because the results of calculations have not been looked at the right way. This project will revolutionise the interpretation of rigorous theoretical chemistry calculations, allowing traditional chemical ideas to be placed on a firm theoretical foundation.

IDEAL CANDIDATE

The ideal candidate has an undergraduate degree in chemistry or physics and has completed courses in the electronic structure theory of molecules. They will have an aptitude for computer coding and will be proficient in at least one programming language (preferably c++), or demonstrate the ability to learn quickly. The candidate is capable of abstract thought and demonstrates a creative approach to problem solving.
Supervisory team
Timothy
Schmidt

Science
Chemistry
Laura
McKemmish

Science
Chemistry
Terry
Frankcombe

UNSW Canberra
Physical, Environmental & Mathematical Science
timothy.schmidt@unsw.edu.au