Development of New Density Functionals

Metallic Cluster Model

SPC Model for Metal Oxides

Neural Network Approach for Accurate and Efficient Prediction of Energetics

DFT Methods for  Accurate and Efficient Calculations of NMR Properties

DFT/MM for Accurate and Efficient Descriptions of Non-bonded Interactions

Chemisorptions and Reactions on Metal Surfaces and Metal Oxide Surfaces

Mechanisms of Heterogeneous Catalysis

Spectroscopic Properties of Electrochemical Systems

Chemistry and Physics of Silicon Surfaces and Nano Materials

Mechanisms of Homogeneous Catalysis and Some Important Biosystems