Sujith C. P

• Qualified JRF-NET (2016) conducted by CSIR-UGC

• Qualified State Eligibility Test (SET) in 2016

Research Expertise

● Computational Modelling: Expertise in creating the crystal structures of different types of materials using VESTA (Visualisation for Electronic and Structural Analysis) software.

● DFT analysis: Expertise in calculating the structural, electronic, and optical properties of different quasi-one-dimensional materials using the computational quantum mechanical modelling method, Density Functional Theory (DFT), involving various functionals.

● Structural parameter calculations: Expertise in the structural analysis of materials using DFT software VASP, Quantum Espresso and WIEN2k and the structure editing and visualisation tools VESTA and ASE GUI.

● Analysis of electronic properties: Expertise in the calculation and analysis of the electronic properties of materials such as band structure, Density of States, and carrier effective masses using VASP, QE etc. and pre-processing, post-processing and visualisation tools like VASPKIT, SUMO, PYMATGEN, XMGRACE and MATPLOTLIB.

● Analysis of optical properties: Expertise in deriving and analysing the optical properties like the dielectric constant, absorption coefficient, optical conductivity, refractive index, extinction coefficient, birefringence, reflectivity, dichroism, etc. from the band structure using VASP and pre-processing, post-processing and visualisation tools like VASPKIT, SUMO, PYMATGEN, XMGRACE and MATPLOTLIB.

Python Data Analysis:

Expertise in analysing and interpreting the simulated output data with the aid of

1. Matplotlib.pyplot: matplotlib.pyplot is a plotting library used for 2D graphics in the python programming language

2. Sumo: Sumo is a Python toolkit for plotting and analysing ab initio solid-state calculation data, built on existing Python packages.

3. Pymatgen: Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis.

4. Galore: Galore is a package which applies Gaussian and Lorentzian broadening to data from ab-initio calculations like electronic density-of-states, with orbital weighting to simulate UPS/XPS/HAXPES measurements.

Conference/Seminar/Symposium/Workshop