Hello, thanks for visiting this page!

You see those colourful objects behind me? They represent atoms and molecules and my job as a Project Scientist is to explore their behaviour including the electrons whizzing around inside them, and I do this using computers. In essence, I simulate exploratory and analytical experiments on a computer –‘in silico’ if you like – to determine the structure and properties of different materials. Some of the materials I have researched include: clay minerals and how they adsorb molecules on their outer surfaces and inside the spaces within their structure; mineral oxides and how they adsorb pollutants such as mercury; pre-cursor materials of perovskites; and more recently, organic molecular crystals.

Clay minerals are prevalent in our lives in many contexts, from drug delivery to cat litter, and a variant of clay minerals may even have contributed to the origins of biological life on Earth. Mineral oxides are also abundant and are used everywhere, the most common of which and most diversely exploited is titanium dioxide used in sun cream and in solar cells. Perovskites are also used in the renewables energy industry, and organic molecular crystals are highly important to the pharmaceutical industry.

So, even though as one of the computational scientists in the chemistry group here at Daresbury I examine the very small, the potential impact of such work is very much at the large-scale.

If you have a material problem that you would like to discuss please feel free to get in touch with us!​