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Physical and theoretical chemistry involves the scientific study of macroscopic, microscopic, atomic, subatomic, and particulate phenomena in chemical systems by the application of physics. The discipline uses the principles, practices and concepts of thermodynamics, quantum chemistry, statistical mechanics and kinetics.
Current work comprises biophysical studies of primary electron transfer events in photosynthesis.
More about Biophysical Chemistry
We use quantum chemical methods, primarily Density Functional Theory (DFT), to explore the molecular structure, bonding and reactivity of chemical systems, particularly those involving transition metal ions.
More about Computational Quantum Chemistry
We work in the fast-growing field of computer-aided chemical design. We use state-of-the-art quantum chemistry calculations to identify and explain the mechanism, kinetics and thermodynamics of complicated multi-step chemical processes - information that is difficult (often impossible) to obtain via experiment alone.
More about Computer Aided Chemical Design
This group combines diffuse X-ray scattering methods with computer simulation to deduce the arrangement of atoms and molecules in disordered crystals.
More about Disordered Materials
Our existence on earth is entirely dependent on photosynthesis, the process which nature uses to convert incident solar radiation into molecular energy.
More about Laser and Optical Spectroscopy
Our research interests include nonequilibrium statistical mechanics and thermodynamics. We have been involved in the development of nearly all of the computer simulation algorithms used for the calculation of transport properties of classical atomic, molecular and short-chain polymeric fluids and lubricants.
More about Liquid State Chemical Physics
Soft Matter is a sub-discipline of condensed matter and focusses upon chemical & biological matter that is easily deformed by thermal forces or fluctuations. These materials show their most interesting behaviour/properties at energy scales on the order of kBT where classical (as opposed to quantum) physics dominate.
More about Polymers and Soft Condensed Matter
Neutron and X-ray scattering methods, developed by this research group, are used to study the structure and dynamics on nanometre and picosecond space/time scales.
More about Solid State Molecular Science
A material's properties must ultimately arise out of its structure. A key aspect of materials physics and chemistry lies in exploring this relationship. We use a combination of experimental techniques including neutron, X-ray and electron diffraction, and computational modelling to explore the structures of materials, and relate the structures to the physical and magnetic properties.
More about Structure and Magnetism of Materials
The Theoretical and Computational Reactivity group undertakes the non-experimental investigation of reactive chemical behaviour in a wide range of chemical systems, from gas phase to solid phase. In close collaboration with the group of Professor Michael Collins, we develop methods to generate potential energy surfaces and use them to elucidate the dynamics of small gas phase systems.
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The group’s main interest is in understanding the mechanisms of chemical reactions. This pursuit involves the development of methods for constructing potential energy surfaces for chemical reactions and the reaction dynamics on these surfaces.
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Quantum chemistry is the discipline in which the laws of quantum mechanics are applied to understand and predict molecular behaviour. We are contributing to this exhilarating field in several ways.
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