Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computers can only produce high-fidelity results for those quantum circuits smaller than some given circuit size. Dynamic simulations, therefore, pose a challenge as current algorithms produce circuits that grow in size with each subsequent time-step of the simulation. This underscores the crucial role of quantum circuit compilers to produce executable quantum circuits of minimal size, thereby maximizing the range of physical phenomena that can be studied within the NISQ fidelity budget. Here, we present two domain-specific (DS) quantum circuit compilers for the Rigetti and IBM quantum computers, specifically designed to compile circuits simulating dynamics under a special class of time-dependent Hamiltonians. The compilers outperform state-of-the-art general-purpose compilers in terms of circuit size reduction by around 25%–30% as well as wall-clock compilation time by around 40% (dependent on system size and simulation time-step). Drawing on heuristic techniques commonly used in artificial intelligence, both compilers scale well with simulation time-step and system size. Code for both compilers is open-source and packaged into a full-stack quantum simulation software with tutorials included for ease of use for future researchers wishing to perform dynamic simulations of quantum materials on quantum computers. As our DS compilers provide significant improvements in both compilation time and simulation fidelity, they provide a building block for accelerating progress toward physical quantum supremacy.

量子材料动力学的模拟正在成为一种有前景的科学应用，用于有噪声的中级量子（NISQ）计算机。但是，由于它们的高门错误率和较短的退相干时间，对于那些小于某些给定电路尺寸的量子电路，NISQ计算机只能产生高保真度的结果。因此，动态仿真带来了挑战，因为当前的算法所产生的电路的尺寸会随着仿真的每个后续时间步而增长。这强调了量子电路编译器在生产最小尺寸的可执行量子​​电路方面的关键作用，从而最大程度地提高了可在NISQ保真度预算内研究的物理现象的范围。在这里，我们介绍了两种用于Rigetti和IBM量子计算机的领域特定（DS）量子电路编译器，特别设计用于编译电路，以模拟一类特殊的时变哈密顿量。这些编译器的电路尺寸减少了约25％–30％，而挂钟的编译时间则减少了约40％（取决于系统大小和仿真时间步长），其性能优于最新的通用编译器。 。借助人工智能中常用的启发式技术，这两个编译器都可以根据仿真时间步长和系统大小很好地进行扩展。两种编译器的代码都是开源的，并打包到一个完整的量子模拟软件中，其中包含的教程便于希望在量子计算机上执行量子材料动态模拟的未来研究人员使用。由于我们的DS编译器在编译时间和仿真保真度上都提供了显着的改进，