1. BulletDevelopment of New Density Functionals

  1. BulletMetallic Cluster Model

  2. BulletSPC Model for Metal Oxides

  3. BulletNeural Network Approach for Accurate and Efficient Prediction of Energetics

  4. BulletDFT Methods for  Accurate and Efficient Calculations of NMR Properties

  5. BulletDFT/MM for Accurate and Efficient Descriptions of Non-bonded Interactions

  1. BulletChemisorptions and Reactions on Metal Surfaces and Metal Oxide Surfaces

  2. BulletMechanisms of Heterogeneous Catalysis

  3. BulletSpectroscopic Properties of Electrochemical Systems

  4. BulletChemistry and Physics of Silicon Surfaces and Nano Materials

  5. BulletMechanisms of Homogeneous Catalysis and Some Important Biosystems