Computational challenges in nanoscale device modeling

The development of new simulation tools is critical for the exploration of quantum transport in nanoscale devices. Such simulation is commonly performed by solving self-consistently the transport problem using the Non-Equilibrium Green's Functions (NEGF) formalism and the Poisson's equation to account for the space charge e ects. The quest for ever higher levels of detail and realism in such simulations as the modeling of multidimensional devices with detailed band structure calculations with(or without) the inclusion of scattering e ects, requires huge computational e ort. Hence, the need for an active research e ort in developing novel numerical techniques and parallel algorithms that axe ideally suited for high-end computing platforms. In this article, we will identify the identify the challenging numerical problems which arise from the NEGF/Poisson procedure and we will present new efficient parallel schemes for computing the problem.