The Quantum Dot Cellular Automata (QCA) paradigm for nano-computing, put forward by the Notre Dame group, manages to achieve the minimal heat dissipation and the ultimate in coding one bit, in the charge configuration state of a mixed valence molecule. The QCA paradigm is a leading contender to take over from transistor based integrated circuits, employing Complementary Metal Oxide semiconductor (CMOS) Silicon devices, in the next decade. It is the CMOS integrated circuit that allows the Information Technology revolution with ever more computationally powerful desktop PCs, laptops and smartphones.
The project is to calculate the switching response for a pair of cells composed of a mixed valence Diferrocenylacetylene (DFA) molecules. The physical system consists of the external driver molecular and the test molecule (electronic system) being driven. However the test molecule can vibrate (vibronic modes) so this aspect must be included. The vibration system can exchange energy with the thermal environment. The density matrix for this system (a spin – boson model), whose time evolution is given by a Lindblad equation, will be calculated, giving a treatment of the molecular switching including dissipation. The MATLAB Quantum Optics Toolbox will be used to solve for the density matrix as it has advanced features (representation of tensor operators and superoperators) designed for this purpose. To verify the MATLAB Quantum Optics Toolbox numerical approach results will be compared with well-established analytic models from field of Quantum Optics.