Research
Porous Materials for Gas Capture
Porous Materials for Gas Capture
CO2 capture
H2 & NH3 storage
SOx & NOx capture
Perovskite Materials for Different Applications
Perovskite Materials for Different Applications
Halide perovskite for photovoltaic applications
High pressure studies
Metastable phases
Ferroelectricity
Gas sensor properties
Methods
Methods
Density functional theory (DFT)
van der Waals functionals
GW+BSE
Machine learning techniques
Grand Canonical Monte Carlo (GCMC)
Various numerical methods