Nowadays, the importance of nanotechnology is not overlooked. One of the interesting topics related to this area is the superhydrophobic surfaces that are in the category of surface engineering science. A drop of water on these types of surfaces has a contact angle of more than 150 degrees. The superhydrophobicity of the surface was first detected by observing the non-wettability of the lotus leaf. For this property, the surfaces should have two main characteristics, one of which is the low surface energy in the solid phase, liquid, and gas interface, which is dependent on the genus and molecular structure of the surface, and the other, the presence of nanometric roughness is covered on the solid surface. In this research, by simulating molecular dynamics using the LAMMPS molecular software, the effect of geometric roughness parameters on the contact angle and consequently, hydrophobicity of the surface has been investigated. For this purpose, the water nanodrop has been modeled on the smooth and rough surface of titanium dioxide, and its contact angle has been obtained. The roughness on the surface has been simulated and analyzed in two-dimensional shape (grooves) and three-dimensional (pillars) in a rectangular shape with different geometric parameters. The simulation results indicate that the existence of roughness increases the contact angle, compared to the smooth surface. Also, with an increase in the roughness height up to 17.754 Angstroms, the contact angle of the water on the surface and, consequently, the surface superhydrophobicity increases, and after this height, there is no significant impact on the increase in angles. In addition, the higher surface fraction (up to 36%) results in more contact angles. Comparison of the results of the analysis of roughened and grooved surfaces showed that the three-dimensional roughness causes more superhydrophobicity of the surface, and in the case of grooves, although the surface fraction is increased, but decreases the contact angle of the droplet, which is consistent with the experimental results. In addition to analyzing the contact angle in all cases, by analyzing of energy changes of the system and the number of hydrogen bonds of nanodrop, the amount of supehydrophbicity and stability of the simulated systems have also been studied. In addition to numerical analysis of molecular dynamics in this study, some experiments were used to investigate the effect of roughness and surface sex on the contact angle of the superhydrophobic surface. For this purpose, by using a thermal spraying method, metallic oxide nanoparticles made of zinc oxide, manganese oxide, and aluminum oxide with organic and inorganic precursors have been synthesized and metal surfaces made of stainless steel, galvanized steel, and copper have been coated. Then, the coated surfaces have been sintered and at each stage of these processes, the contact angle changes of the water droplet on the surfaces due to the geometric structure and the coated roughness profile, measured, and the parameters affecting superhydrophobicity of the surface in the thermal spraying method have been determined. The most important result obtained is that by sintering process, the surface energy can be reduced and the structure of the roughness on the surface can be changed and the superhydrophilic surface becomes superhydrophobic surface, So that the contact angle of the water droplet on the surface of the non-coated steel was 75.65 °, coated by the manganese oxide nanoparticles, and then sintering process, reached 151.44 degrees (about 100% increase in contact angles). Also, by sintering, the durability of coatings on surfaces is increased due to the surface cleanliness from the carbon impurities caused by the combustion coating process. Keywords: Superhydrophobic surface, Contact angle, MD simulation, Coating, Sintering