Professor Sean Smith, FRACI
The Centre for Computational Molecular Science
Australian Institute for Bioengineering and Nanotechnology
The University of Queensland
Brisbane, QLD, 4072
Australia
Email: s.smith@uq.edu.au
Tel: +61 7 3346 3949
Fax:+ 61 7 3346 3992
Professor Smith is firmly established internationally as a significant figure in the field of theoretical and computational chemistry.
His major scientific contributions to the field include (1) developing a range of new algorithms for computing the pressure and temperature dependence of complex reactions via stochastic master equations; (2) developing new versions of variational transition state theory for unimolecular reactions; (3) developing a new family of high performance molecular quantum scattering algorithms based around efficient exploitation of the Lanczos algorithm; (4) important contributions to the understanding of catalytic effects in hydrogen storage for light metal hydride materials; (5) computational exploration of novel nanotube, nanoribbon and nanosheet molecular architectures with new functionality for next-generation electronics and spintronics devices, and (6) a significant contribution to the elaboration of mechanisms of proton chain transfer within the Green Fluorescent Protein. He is coauthor of one of the seminal books on unimolecular rate theory.
His publications include cumulatively one book, three invited chapters, three invited reviews, and 155 refereed journal articles. In 2006 he was recipient of a prestigious Bessel Research Award of the Alexander von Humboldt Foundation in Germany, and his previous awards have included the Le Fevre Memorial Prize of the Australian Academy of Science and the Rennie Medal of the Royal Australian Chemical Institute. He serves on the Editorial Advisory Boards for the Journal of Physical Chemistry and for Computer Physics Communications.
