Welcome to the Centre for Computational Chemistry!

The Centre for Computational Chemistry, within the School of Chemistry, encompasses a very broad spectrum of interests within fundamental and applied theoretical chemistry, including:

  • method development, in electronic structure theory, photochemistry and reaction dynamics;
  • computational biochemistry, with a focus on reactivity;
  • modelling of local, global and planetary atmospheres;
  • modelling of disordered solids and minerals, including thin film growth;
  • modelling of organic and organometallic structure and reactivity;
  • understanding the interaction between light and molecules;
  • improving how computational simulation can be combined with experimental measurements;
  • statistical mechanics and the study of colloidal dynamics.

All of these activities link strongly with experimental programmes across the whole breadth of the School of Chemistry’s research profile, and engage with other activities in the University, and beyond.

Members