Nanoparticles of un-doped, 5%, 10%, 15% Mn doped TiO2 were prepared by the sol-gel technique by adding different proportions of Manganese to the Titanium dioxide and characterized using XRD and SEM. This increase in doping proportion of Mn in the oxide material reduced the band gap to a larger extent, so this material is activated under visible light. As the doping level of Manganese increased, the material acquired the property of Ferro-magnetism at room temperature. The simulation studies were carried out using DFT tool and analyzed.