SCERPA Simulation of Clocked Molecular Field-Coupling Nanocomputing

Among all the possible technologies proposed for post-CMOS computing, molecular field-coupled nanocomputing (FCN) is one of the most promising technologies. The information propagation relies on electrostatic interactions among single molecules, overcoming the need for electron transport, significantly reducing energy dissipation. The expected working frequency is very high, and high throughput may be achieved by introducing an efficient pipeline of information propagation. The pipeline could be realized by adding an external clock signal that controls the propagation of data and makes the transmission adiabatic. In this article, we extend the Self-Consistent Electrostatic Potential Algorithm (SCERPA), previously introduced to analyze molecular circuits with a uniform clock field, to clocked molecular devices. The single-molecule is analyzed by ab initio calculations and modeled as an electronic device. Several clocked devices have been partitioned into clock zones and analyzed: the binary wire, the bus, the inverter, and the majority voter. The proposed modification of SCERPA enables linking the functional behavior of the clocked devices to molecular physics, becoming a possible tool for the eventual physical design verification of emerging FCN devices. The algorithm provides some first quantitative results that highlight the clocked propagation characteristics and provide significant feedback for the future implementation of molecular FCN circuits.