In the course of this entry, we have illustrated using several examples from our work that knowledge of interaction forces, together with a judicious choice of theoretical methods, can be employed in the de novo design of functional nanomaterials and nanodevices. The knowledge of interaction forces could also be utilized for the development of novel functional molecular systems having the capacity of controlled assembly. We have discussed the design and synthesis of several functional molecular systems such as nano-wires/nanotubes, ionophores/receptors/sensors, electron/proton/molecular tweezers, molecular vehicles, and molecular-robots/bio-nanorobots. We expect that some of the ideas gleaned from our work would find utility in the search for molecular nanoelectronic/ mechanical devices, quantum computing devices, bio-molecular sensors, and nanosurgery. Although this research field is still in the embryonic stage, the advent of fast computers and extremely powerful programs should revolutionize the design and development of nanomaterials and nanodevices in the near future. One of the advantages of the present work is that it also helps obtain an enhanced understanding of the processes in the macroscopic world.

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