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Computational Molecular Science involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature.

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Group Leader's Note

Thanks for visiting the CBN group website!

The Computational Bio- and Nano-technology group is a constituent group within the Centre for Computational Molecular Science (CCMS) at UQ as well as within the Australian Institute for Bioengineering and Nanotechnology (AIBN). My group moved into purpose-designed computational laboratories within the new AIBN building in 2006, liberating renovated CCMS space in the Chemistry Building for use by other constituent groups within the centre.

The CBN group has a multithreaded research program focusing on applications of computational molecular science into biotechnology, nanotechnology and environmental science. We utilize quantum electronic structure methods, classical and quantum molecular dynamics and kinetics theories to characterize photophysical, kinetic, material and catalytic properties of complex systems in targeted application areas. Research areas that have taken particular focus within the group in recent years include nanocomposite materials for mobile hydrogen storage applications; nanoparticles and biological dendrimers for gene delivery applications; fluorescent proteins for cellular imaging; and fundamental quantum dynamical methodology development for application in combustion and atmospheric chemistry as well as condensed phase applications such as hydrogen transport in materials and proton chain transfer in biological systems. More detail about our research projects can be accessed via the Research page. Information about our research output can be found on our publications page.

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Facilities & Resources

We enjoy excellent physical and computational facilities within the Australian Institute for Bioengineering and Nanotechnology at The University of Queensland. Our new computational lab in the AIBN and our extensive in-house cluster computing facility provide an excellent foundation for the computationally intensive research that we carry out. Some photos below illustrate the new facilities. Further details about our cluster computing facility can be found on the HPC page.

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Environment

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Lift Lobby

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Corridor

                               

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Open Computing Area

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High Performance Computing Machine Room

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