Ankit Panchal

Concepts: • Calculation of absorption spectrum for ethylene molecule in various geometric orientations. • Parameter study for Vienna ab-inition simulation package (VASP) using ethylene molecule in various arrangements in solid state. Program: VASP, Turbomole, Molden, Gnuplot, Python, Wolfram Mathematica

Concepts: • Absorption spectrum calculation of organic molecules like ethylene, perluoro ethylene, anthracene and pentacene • Comparison of gas pahse absorption spectrum with the spectrum calculated for a molecule in a very large unitcell Softwares: Vienna ab-initio simulation package (VASP), Turbomole, Molden, Gnuplot

Concepts: Calculation of potential energy surface for hetero-molecular dimer system.

Principle disciplines: Quantum chemistry, Quantum theory of functional materials, Quantum technology, solid state physics, molecular materials

Fields of specialization: Machining and manufacturing processes, Manufacturing processes, Internal combustion engines, Introduction to refigiration and air conditioning, Introduction to material science and metallurgy .