Md Nuruzzaman S.

I am focusing on predicting the physical, chemical, and biological properties of various molecules by the computational method. Analysis of ligand-protein binding affinity and binding site by ligand-protein docking study which is the most updated method of the drug discovery is also my ongoing research. The most mentionable researches are Thermophysical, HOMO, LUMO, Vibrational spectroscopy and Quantitative Structure of Activity Relationship (QSAR) analysis, ADMET analysis of Ionic Liquid, morphonium formate, morpholinium nitrate, Anticancer Active Ionic Liquids, Cannabinoids, Tetrahydrocannabinol, anticancer rhodium complexes by most updated "Density Function Theory (DFT)" and ligand-protein docking study of the computational method. Moreover, I am also doing research on prediction of NLO materials, Superconductivity, and photocatalyst material by analyzing first-principles electronic structure, Electron-Phonon Coupling (EPC), HOMO-LUMO gap, dipole moment (µ), polarizability (∆α), and first-order hyperpolarizability (β), Hyper-Rayleigh Scattering (HRS) taking the favor of computational method.