Purpose -This paper computationally estimates the constitutive relationships of composite materials reinforced by single walled carbon nanotubes (SWNT). Design/methodology/approach -A multiscale analysis is considered. At the nanoscale level, molecular dynamics (MD) are used to predict the stiffness for an equivalent beam. A BEM solver for the elasticity problems is extended to allow the presence of inclusions and hence is used to model a RVE for the composite matrix with the equivalent nanotube beams. A genetic algorithm (GA) is developed to generate an initial population of anisotropic materials based on FEM. The GA evolves the population of properties of anisotropic materials till a material is found whose mechanical response is the same as that of the nanocomposite. Findings -The overall process is suitable for the constitutive relationships estimation according to the verification process outlined.Research limitations/implications -The present work is limited to 2D linear problems. However, extending it to 3D non-linear applications is straight forward. Practical implications -The present technique could be used to estimate properties of NCT composites, hence practical applications such as aeroplane structures or turbine blades could be analysed using commercial finite element software. The present methodology could be used to estimate non-mechanical properties such as the thermal and electric properties. Originality/value -The present computational technique has never been presented in the literature.