Molecule interaction for QCA computation

Molecular Quantum-dot Cellular Automata (QCA) represent a new paradigm for nanoelectronics that seems to be very promising for digital computing. The elementary nano-device is a molecular system in which the binary encoding is provided by the charge localization within the molecule, without current flow. Basing on a previous analysis of a molecule synthesized ad-hoc for QCA technology, we discussed here the effect of the clock signal i) on a single molecule, ii) on the interaction between a driver and a molecule, and iii) on the interaction between two molecules. The results obtained by means of ab-initio calculations allowed to model a real QCA cell functional to a further study on the interaction between different cells.