This article focuses on how the behavior of cement matrices is influenced by the water-cement ratio and the percentage of nano clay in concrete mixes. Due to the high costs associated with experimental analysis, an initial simulation is conducted to evaluate the behavior of montmorillonite nano clay (MNC) in cementitious materials. Simulations utilize representative volume element (RVE) techniques, leading to the creation of two regression equations to characterize compressive strength and flexural strength based on the two variables. Ultimately, this study provides valuable insights into MNC-cement composites, aiming to reduce the need for macro reinforcement in construction and to facilitate more efficient and cost-effective concrete designs.