His main achievements are related with theoretical research in physics and chemistry of functional materials. A series of computation models have been developed and over 200 journal papers have been published which received around 2500 citations. His h-index reached 27 in July of 2010. His awards included Friedrich Wilhelm Bessel Research Awards, Alexander von Humboldt Foundation (2004), Second-class State Natural Science Award of China (2005), Third-class State Natural Science Award of China (No. 24-3-003-02, 1997), and First-class Award (No. 96-017) of Scientific and Technological Development (1997) of China.