His research interest is to exploit molecular simulations and develop statistical-mechanics theories for solid-state materials and complex fluids such as nanomaterials, polymers, and biomolecules. Currently, he is focusing on the molecular design of nanoporous and membrane materials for energy, environmental and pharmaceutical applications such as carbon capture, clean gas storage, water treatment, and drug delivery. He has published over 120 manuscripts in peer-refereed journals and contributed several book chapters. He is an editorial board member of Open Thermodynamics Journal and ISRN Nanotechnology. In 2010, he received the Prestigious Engineering Achievement Award (term award) from the Institution of Engineers, Singapore.