Scalable parallel simulation of quantum circuits on CPU and GPU systems

• URL: http://arxiv.org/abs/2509.04955v2
• Date: Mon, 08 Sep 2025 14:48:09 GMT
• Title: Scalable parallel simulation of quantum circuits on CPU and GPU systems
• Authors: Guolong Zhong, Yi Fan, Zhenyu Li,
• Abstract summary: We present a comprehensive parallelization solution for the Q$2$Chemistry software package.<n>Our optimizations significantly enhance the simulation speed compared to unoptimized baselines.<n>These benchmarks highlight the capability of Q$2$Chemistry to effectively handle large-scale quantum simulations.
• Score: 9.62558654513992
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of current quantum hardware in the noisy intermediate-scale quantum (NISQ) era, classical simulation remains a critical tool for developing quantum algorithms. In this research, we present a comprehensive parallelization solution for the Q$^2$Chemistry software package, delivering significant performance improvements for the full-amplitude simulator on both CPU and GPU platforms. By incorporating batch-buffered overlap processing, dependency-aware gate contraction and staggered multi-gate parallelism, our optimizations significantly enhance the simulation speed compared to unoptimized baselines, demonstrating the effectiveness of hybrid-level parallelism in HPC systems. Benchmark results show that Q$^2$Chemistry consistently outperforms current state-of-the-art open-source simulators across various circuit types. These benchmarks highlight the capability of Q$^2$Chemistry to effectively handle large-scale quantum simulations with high efficiency and high portability.

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