Photovoltaic technology attracts researchers from industry and academia due to its potential in producing electricity directly from the sunlight. Among all the photovoltaic devices, the dye-sensitized solar cell has gained preference due to its low-cost fabrication and versatility in electrolytes, dye, substrate, and catalyst. The optical, electrical, and structural properties of the materials determine the power conversion efficiency of a solar cell. But, conducting experiments in the laboratory to identify the suitable materials for the fabrication of an efficient solar cell requires much time, cost, and human effort.