Research themes

Our group has an interest in both the design of algorithms and their application. There are several themes in different stages of development. The chart shows various research themes, click on the theme to know more about it.

These themes all have in common the approach described above (“general section”) except for some early work on the electrostatic component of intermolecular interaction, using the Distributed Multipole Analysis (DMA). The short section that describes the context of the research is not meant to be exhaustive but rather as an informal account of the main ideas behind the themes. We briefly describe what has been achieved and where we are heading for. A detailed description of the work done under each theme can be found in the papers referred to at the bottom of each section.

Please note that in the brief description of each theme, a number in square bracket, e.g. [1], refers to the numbered publication in the list of pulications.

Funding Sources:

BBSRC, EPSRC, Leverhulme Trust, Royal Society, ICI, GlaxoSmithKline, SmithKlineBeecham(former), Syngenta, AstraZeneca