Universität Rostock, 2018
Abstract: In this dissertation, a Poisson solver is improved with three parts: the efficient integrated Green's function; the discrete cosine transform of the efficient integrated Green's function values; the implicitly zero-padded fast Fourier transform for charge density. In addition, the high performance computing technology is utilized for the further improvement of efficiency, such as: OpenMP API, OpenMP+CUDA, MPI, and MPI+OpenMP parallelizations. The examples and simulation results are matched with the results of the commonly used Poisson solver to demonstrate the accuracy performance.
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