The behavior of nanoelectronic devices is strongly influenced by quantum effects; switching may be triggered by the transit of just several electrons in a conduction channel; and structures may be so closely packed in a circuit that not only device-device interactions are not negligible, but could even be exploited to create new functions. The simulation of quantum and optical features of these novel devices is quite challenging, because of the difficulty in formulating and numerically implementing manageable physical models. In this interdisciplinary proposal the computational problems that require expertise in engineering, physics, computer science and applied mathematics will be addressed. The large scale numerical algorithms are optimized and implemented efficiently on supercomputers. The 2-D software developed under previous grant period for the analysis of quantum wire structures will be extended into an engineering tool with user friendly interface. A full extension of the self-consistent solver for the coupled Schrodinger and Poisson equations to three-dimensions will be carried out. Finally, advanced graphics techniques for multi- dimensional data representation will be developed employing animation and videorecording techniques.
