• DFT & DMFT

  Development of Density and Density-Matrix Functionals Methods.

• Electron Correlation

  Separation of strong and weak correlations, Modeling dispersion.

• Wavefunction Analysis

  Aromaticity, Chemical Bonding Descriptors, Electron Sharing Indices (ESIs).

• Molecular Properties

  Development of Non-Linear Optical Properties, NLO switches with large vdW interaction.