TiNi alloy thin films have attracted significant attention in both research and industrial applications, owing to their remarkable functional properties. These include the shape memory effect and superelasticity, which originate from the reversible phase transformation between martensite and austenite. In addition, TiNi thin films exhibit excellent corrosion resistance, good biocompatibility, and superior damping capacity. Consequently, the investigation of the physical conditions enabling the achievement of these properties requires a thorough understanding of the production processes of these thin films. At present, experimental characterization techniques alone are not sufficient to fully elucidate the mechanisms governing thin film growth at the nanoscale. Implementing advanced simulation techniques, such as molecular dynamics (MD), offers an effective solution to this issue. In this study, we investigated the atomic-scale growth of TiNi films using MD method. The effects of the incident energy and substrate temperature are explored in details from the atomic scale. The films deposited with an incidence energy of 0.1 eV show a rough morphology due to their low surface mobility. However, as the energy increased from 1 to 15 eV, the morphology became smoother. This is explained by the high mobility of deposited atoms, which inhibits cluster formation on the surface. Increasing the substrate temperature from 300 to 600 K slightly reduces the film roughness. This is due to the enhanced agitation of the atoms, which also promotes the filling of surface voids. The results also show that at energies above 5 eV, at the film-substrate interface, some atoms from the film penetrate the upper layers of the substrate, while some atoms from the substrate are ejected into the film. The average atomic stress was calculated and found to be consistent with the experimental stress values.