DFT & DMFT Development
Development of Density and Density-Matrix Functionals Methods (DFT & DMFT)
Electron Correlation
Separation of strong and weak correlations, Modeling dispersion.
Wavefunction Analysis
Aromacity, electron Sharing Indices (ESIs), chemical Bonding Descriptors
Molecular Properties
Development of Non-Linear Optical Properties, NLO switches with large vdW interaction.