Variational Quantum Algorithm for Solving Quantum Transport Equation in Semiconductor Device

Abstract

As semiconductor feature sizes continue to shrink, accurate and efficient simulations of quantum transport become increasingly critical in device design and manufacturing. The nonequilibrium Green’s function (NEGF) formalism is a widely used method for simulating quantum transport in semiconductor devices, but it is computationally demanding. Quantum computing offers a promising solution, in this work, we pioneer the application of the variational quantum linear solver (VQLS) to the NEGF problem, addressing the challenges associated with handling complex numbers inherent in quantum transport equations. We introduce a new cost function tailored to this framework, demonstrating improved performance over existing approaches. Furthermore, we show that VQLS can efficiently parallelize the computation across different energy levels, significantly reducing computational costs. Our results highlight the potential of variational quantum algorithms (VQAs) in enhancing the scalability and efficiency of quantum transport simulations.