I am interested in looking for the fundamental properties of the materials by calculating their electronic structure in the ground state using Density Functional Theory. I am working on different organic as well as inorganic materials which can play a major role in optoelectronic devices.
Electronic Structure Calculation of AsSiTeB/SiAsBTe nanostructures using the Density Functional Theory.
The steps for calculating the electronic structure using GAUSSIAN 16 Package is described in the video link below:
[[DFT]] [[Electronic scale]] [[Metals]]