Liu explores the use of numerical simulations to investigate various properties and behaviours of soft matters, such as the mechanism of the stabiltiy of surface nanobubbles, the interface flow induced by concentration gradient (e.g. Marangoni effect and diffusio-osmosis/phoresis). Within the Centre, he is using the molecule dynamics simulations to predict the mechanism and rate of forming self-assembly structures and materials, which will help develop solution-processed materials for extracting energy from sunlight.