In reality, magnetic interactions always compete with van der Waals forces (and possibly other types of forces), which become increasingly important with decreasing particle size. Self-assembly also poses a number of substantial intellectual challenges. Molecular self-assembly can be achieved by using three common approaches which includes self-assembly through physiosorption (patterned organic monolayers), self-assembly through chemisorption, and self-assembly through metal ion-ligand interactions. This chapter briefly outlines the important applications specific to the supramolecules and self-assembled nanostructures. Supramolecular chemistry and molecular self-assembly processes, in particular, have been applied to the development of new materials. It is revealed using analytical modelling that the fundamental electrical, mechanical, and magnetic interactions at the nanoscale level in the nanomotor system excellently agrees with experimental results and provides critical understanding for designing metallic nanoelectro-mechanical systems. The chapter also discusses the applications of self-assembled/supramolecular structures in following fields: catalysis, medicine, data storage, green chemistry, and sensors.