The fracture behavior of multilayer graphene nano-platelets in epoxy composite under tensile loadings was characterized using a computational molecular dynamic simulation and the Reactive Force Field. The investigation covers the approach for developing the molecular structure of graphene/epoxy composite, and the method for relaxing the systems. A uniaxial tensile deformation was employed for evaluating the fracture behavior of the model. The estimated results showed that fracture strength, fracture strain, and the Young’s modulus significantly increased with increasing layers of graphene in epoxy and the fracture occurs at the onset of yielding for all the models evaluated