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
