Professor Alan Mark focuses on understanding and predicting the macroscopic (experimentally observable) properties of molecular systems in terms of the interactions between atoms. In particular his work concentrates on the development of tools (i.e. simulation software, atomic force fields, theoretical models and experimental techniques) that can be used to understand and predict the structural and dynamic properties of soft-matter systems. Specific areas of interest include prediction of structure and morphology, the self-assembly of mixed systems and the calculation of thermodynamic properties of such materials.
Research keywords: molecular dynamics, computer simulation, self-assembly, GROMOS, GROMACS, empirical force fields
Affiliation: School of Chemistry and Molecular Biosciences (SCMB), The University of Queensland
Address: Molecular Biosciences Building, The University of Queensland, School of Chemistry and Molecular Biosciences, Queensland, Australia, 4072