Fused Depositional Modeling (FDM) is one of the common methods for 3D printing of polymers, which is expanding in various industrial applications, scienti c researches, and engineering applications due to its ability to make complex parts. In this research, molecular dynamics (MDs) simulation has been used to predict the physical and mechanical properties. Then, the mechanical properties of the printed parts are obtained. The mechanical properties of 3D printed parts strongly depend on the correct selection of processing parameters. In this study, the effect of three important parameters such as in ll density, printing speed, and layer thickness are investigated on the tensile properties of PLA specimens. For this purpose, standard specimens with four in ll densities of 20%, 40%, 60% and 80%, two speeds of 20 mm/s, and 40 mm/s, and two thicknesses of 0.1 mm and 0.2 mm are printed and tested under quasistatic tensile test. In all printed specimens, the print angle is ± 45°. The experimental results show that the in ll density in comparison to the other two parameters has signi cant effect on mechanical properties such as modulus of elasticity, ultimate strength, and failure strain. According to these results, by increasing the in ll density, the stiffness and strength of the specimens increases considerably. At in ll density of 80%, the specimens has the highest stiffness and strength, but it exhibits a brittle behavior. Moreover, it can be deduced that by reducing the layer thickness although the modulus of elasticity increases a little, ductility is greatly affected.