Olfaction provides a wealth of information about our environment. Partner selection and disease detection are just two examples of the versatility of our olfactory system. Despite its important role, the digitization of the olfactory sense is still in its infancy compared to vision and hearing. In particular, storing olfactory profiles, their on-demand synthesis, and transmission are critical barriers to broader use of the specific and unique information provided by olfaction. For investigation of this topic, we propose the multidisciplinary SMELLODI project, that develops biomimetic sensor technologies for remote medical diagnostics and for assisting individuals with olfactory disorders by visualizing information about their body odor. In this talk will be represented theoretical analysis of assembling smell receptor and odor molecules on carbon-based surfaces (CBS) such as graphene and nanotubes. All-atom Molecular Dynamics simulations is performed to determine the stable conformations and binding energies between receptor and odor molecules in stacking with CBS.