The one-day workshop will be held the day before the start of the conference. It will provide an introduction to computational chemistry methods, including molecular orbital methods, semi-empirical theories, density functional theory (DFT), molecular dynamics and Monte Carlo simulations, integral equation theories of liquids, and computational spectroscopy.

The workshop will consist of two parallel streams: an introductory stream aimed at teaching participants less familiar with computational methods how to apply these methods to standard problems and an advanced stream comprising master classes by guest lecturers focussing on particular computational problems or methods. Participants can choose which sessions from the two streams they attend.

Master classes will be given by:

• Prof. Debra Bernhardt (University of Queensland)

• A/Prof. Ken Brown (Georgia Institute of Technology)

• Prof. Michelle Coote (Australian National University)

• Prof. Julian Gale (Curtin University)

• Prof. Phill Geissler (University of California, Berkeley)

• Dr Jo Lane (University of Waikato)

• A/Prof. Timothy Schmidt (University of Sydney)