Research

Porous Materials for Gas Capture

  • CO2 capture

  • H2 & NH3 storage

  • SOx & NOx capture

Perovskite Materials for Different Applications

  • Halide perovskite for photovoltaic applications

  • High pressure studies

  • Metastable phases

  • Ferroelectricity

  • Gas sensor properties

Methods

  • Density functional theory (DFT)

  • van der Waals functionals

  • GW+BSE

  • Machine learning techniques

  • Grand Canonical Monte Carlo (GCMC)

  • Various numerical methods