This research introduces a finite element model tailored explicitly to assess the mechanical characteristics inherent in MXene/polymer nanocomposite. The primary focus revolves around elucidating the performance attributes through numerical simulations and subsequently aligning these findings with experimental data. The numerical analysis not only predicts mechanical behaviours but also aims to correlate these insights with experimental results obtained from fabricated epoxy nanocomposites within the study's scope. By employing this simulation-driven approach, the study investigates a deeper understanding of the mechanical response, particularly focusing on the materials' tensile properties. From the experimental results, the MXene/epoxy nanocomposite sample exhibited the highest tensile strength and modulus, measuring 50.1 MPa and 7.13 GPa, respectively. The simulation results were 50.08 MPa and 6.95 GPa, showing a difference of less than 3%. Small discrepancies in Young's modulus between the experimental and simulation results may arise from inherent sample heterogeneity. This heterogeneity, which includes microstructural variations, impurities, or defects, contrasts with the idealized homogeneous structures assumed in simulations. This research endeavours to advance predictive modelling techniques, offering valuable insights that can potentially streamline the manufacturing process and optimize MXene-based polymer composites. The goal is to tailor these materials with precise mechanical properties, ensuring their enhanced performance in various applications.