Computational study of materials

Our interest in this theme is the computational study and modeling of materials that have potential for photovoltaic and nanophotonic systems. Various projects in this theme include:

  • Optical simulation of heterostructure, thin film photovoltaic systems and how the choice of individual layers affect the overall transparency, absorption and energy conversion.
  • System level reliability study of solar cells through optical characterization and simulation.
  • First principles density functional theory (DFT) simulations for electronic structure calculations for potential solar materials.
  • Application of machine learning techniques for high throughput materials discovery - an approach that has received significant attention in recent times for efficient material discovery for a specific material property with a specific application.


Affiliated faculty: Dr. Redwan N. Sajjad, Dr. Md. Abdullah Zubair