PQLS：一个用于开放量子系统稳态模拟的高性能Python库

中文摘要 AI 辅助

PQLS（并行量子Liouvillian求解器）是一个用于计算Lindblad主方程稳态解的高性能Python库。它提供了一个分层的用户面向API，具有三个抽象级别。高级API接受原子阶梯系统的物理描述，并自动确定所需的模型参数；中级API接受诸如拉比频率、失谐、衰减率和网络拓扑等量；最后，低级API允许用户直接指定哈密顿量和坍缩算符。这种分层设计使用户能够根据应用在物理便利性和直接数值控制之间进行选择。PQLS基于JAX和XLA构建，以实现大规模参数扫描的向量化和硬件加速计算。PQLS不是针对每个参数配置顺序求解稳态问题，而是将多个哈密顿量表示为批处理张量，并通过JAX编译的求解器处理它们，从而减少Python级开销并提高硬件利用率。这对于需要大型或多维参数扫描的应用尤其有用，例如计算频谱、评估场相关响应以及对原子速度分布进行多普勒平均。PQLS已在CPU和GPU平台上与QuTiP、QuTiP-JAX和RydIQule进行了基准测试，在测试配置中展示了显著的计算加速。

英文摘要

PQLS (Parallel Quantum Liouvillian Solver) is a high-performance Python library for computing steady-state solutions of the Lindblad master equation. It provides a layered user-facing API with three levels of abstraction. The high-level API accepts physical descriptions of atomic ladder systems and automatically determines the required model parameters; the mid- level API accepts quantities such as Rabi frequencies, detunings, decay rates, and network topology; finally the low-level API allows users to directly specify the Hamiltonian and collapse operators. This layered design enables users to choose between physical convenience and direct numerical control depending on the application. PQLS is built on JAX and XLA to enable vectorized and hardware-accelerated computation of large parameter sweeps. Rather than solving the steady-state problem sequentially for each parameter configuration, PQLS represents multiple Hamiltonians as batched tensors and processes them through a JAX-compiled solver, reducing Python-level overhead and improving hardware utilization. This is particularly useful for applications requiring large or multidimensional parameter sweeps, such as computing frequency spectra, evaluating field-dependent responses, and performing Doppler averaging over atomic velocity distributions. PQLS has been benchmarked against QuTiP, QuTiP-JAX, and RydIQule on CPU and GPU platforms, demonstrating substantial computational speedups across the tested configurations.

发表机构

• University of Toronto Scarborough（多伦多大学士嘉堡校区）
• University of Toronto（多伦多大学）

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