Open Positions

        Our group members are working indifferent areas of chemistry (Computational theoretical chemistry for studying chemical bonding, Molecular magnetism, Optical materials, development of catalyst for organic synthesis, coordination chemistry, organometallic chemistry, carbene chemistry, radical chemistry, N₂, CO₂, O₂ binding and activations, structure determination by X-ray single crystal diffraction). We do both experimental and theoretical chemistry. We combine our expertise to bring huge depth in our research work.

            We are looking for motivated students who likes to carry out Ph.D research work to have a bright research career in future. Those who are passionate about ‘computational theoretical chemistry’ can contact me for Ph.D position. WhatsApp number 7358755811. You can do Ph.D even sitting back at home. We will teach install all the required software in your system. You can submit computational jobs sitting back at home. We will teach you how to analyze the output file and go ahead. We will also assist you how to write manuscript. You just need to be self-motivated and ambitious to do things with high interest. In Ph.D, you finally develop philosophy which is same for any field of research. In Computation Theoretical Chemistry, you will learn 1) Structure optimization in proper spin ground states using DFT method in Gaussian package, 2) NBO calculation to speak about orbital interactions in the molecule/complexes, 3) TD-DFT Calculations to predict electronic transitions which are responsible for color of any chemical species, 4) Calculate partial charges and electron densities distribution around each atom, 5) Bond order (WBI), 6) Calculate Gibb’s free energies, 7) NICS calculation to speak about the aromaticity, 8) Bond dissociation energy, 9) Energy Decomposition Analysis - Natural Orbital for Chemical Valence (EDA-NOCV) to correctly predict the exact orbital overlaps involved between two fragments (producing intrinsic interaction energy which can be split into coulombic energy, covalent interaction energy, dispersion energy, Pauli repulsion energy). You can predict the exact nature of chemical bonds (electron sharing vs coordinate). EDA-NOCV is called state-of-art calculation because of its own beauty. EDA-NOCV speaks about the accurate chemical bonding and stability of the chemical species. You can predict whether a chemical species will be stable or not even it is an exotic chemical species. The deformation density will show the flow of the electron densities before and after the formation of the chemical bond between two fragments. You can choose which bond you like to study for fragmentation. It takes nearly 6 months to learn all.