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COMPHYS which built and developed by us to solve complex scientific computational problems that exceed the capabilities of a single workstation or server such as quantum calculations, solving large-scale problems such as simulating real materials and some pre-testing before performing on a practical quantum computer. With parallel computing ability and the GPU (Graphical Processing Unit) equiped, it achieves significant speedups, enabling faster results and more efficient workflows. Moreover, the COMPHYS also is used for training AI models and processing the datasets used in new materials research and applications.