I am a member of Senior Research Scientist of the Computational Chemistry Group at Daresbury Laboratory since October 2000. I have extensive research experience in a wide-range of molecular modelling fields including polymers, particle bombardment, nano-surface contacts, mineral surface interactions and biological simulations, using a variety of techniques such as the molecular dynamics, Monte Carlo and ab-initio electronic calculations.
Since November 2008, I have been an active support scientist for the CCP5 community, in particular, in areas of potential model development. I am also the lead developer of DL_FIELD
, a powerful force field model development and editing software tool for DL_POLY molecular dynamics package as a result of culmination of many years experiences in molecular modelling research.
Current research activities including molecular simulations of graphene-cellulose nanocomposite materials, solubilisation of drug molecules, and protein NiR.