Wilson - Computational chemistry and quantum chemistry

Lab leader

David WilsonDr David Wilson

Senior Lecturer, College of Science, Health and Engineering

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Our group carries out research with the use of state-of-the-art computational quantum chemistry methods; using computers to solve chemical and biochemical problems. We are involved in a Nobel Prize winning field of research – computational chemistry.

Computer calculations are carried out to model molecular structures, properties and spectroscopies, as well as energetics of reactions. We collaborate with a number of international and national research groups. We have a particular focus on understanding fundamental properties of chemical bonding and electronic structure, which we use in the design of new chemistry and new materials.

The ultimate goals of this research are:

  • The understanding of molecular properties as they relate to the electronic structure of molecule and atoms.
  • The application of computational quantum chemical methods to chemical and biochemical problems.

Research areas