arXiv:2508.09103quant-phcond-mat.stat-mech2025-08被引 4

提出新算法设计量子热态与稳定子热力学系统,可用于材料与分子设计。

Constrained free energy minimization for the design of thermal states and stabilizer thermodynamic systems

  • 通过约束自由能最小化优化量子热态,结合混合量子-经典算法求解
  • 在自旋模型与稳定子码系统上验证算法有效,实现热态精准调控
  • 可作为固定温度下编码量子信息的替代方法,适合量子材料设计场景

量子热力学系统由哈密顿量和一组非对易守恒荷描述,核心目标是在荷约束下求系统的最低能量。近期研究提出一阶与二阶经典及混合量子-经典算法,用于求解对偶化学势最大化问题,并证明其可通过梯度上升法收敛至全局最优。本文在多个热力学相关问题上对该算法进行基准测试,包括含最近邻与次近邻相互作用的一维和二维海森堡模型,荷设为总x、y、z磁化。此外,我们提出一种新解释:该算法可作为可控哈密顿量的基态与热态设计工具,具有分子与材料设计潜力。进一步引入稳定子热力学系统,即基于稳定子码构建的热力学系统,其哈密顿量由码的稳定子算符构造,荷由逻辑算符构造。我们在多个例子上测试了上述算法,包括一至三量子比特重复码、完美一至五量子比特码及二至四量子比特纠错码。最后发现,当应用于稳定子热力学系统时,这些混合量子-经典算法可作为在固定温度下将量子信息编码进稳定子码的替代方法,并提供一种有效温启动策略,适用于单量子比特编码到多个物理量子比特的情形。

原文摘要 · Abstract (English)

A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et al., arXiv:2505.04514] proposed first- and second-order classical and hybrid quantum-classical algorithms for solving a dual chemical potential maximization problem, and they proved that these algorithms converge to global optima by means of gradient-ascent approaches. In this paper, we benchmark these algorithms on several problems of interest in thermodynamics, including one- and two-dimensional quantum Heisenberg models with nearest- and next-nearest neighbor interactions and with the charges set to the total x, y, and z magnetizations. We also offer an alternative compelling interpretation of these algorithms as methods for designing ground and thermal states of controllable Hamiltonians, with potential applications in molecular and material design. Furthermore, we introduce stabilizer thermodynamic systems as thermodynamic systems based on stabilizer codes, with the Hamiltonian constructed from a given code's stabilizer operators and the charges constructed from the code's logical operators. We benchmark the aforementioned algorithms on several examples of stabilizer thermodynamic systems, including those constructed from the one-to-three-qubit repetition code, the perfect one-to-five-qubit code, and the two-to-four-qubit error-detecting code. Finally, we observe that the aforementioned hybrid quantum-classical algorithms, when applied to stabilizer thermodynamic systems, can serve as alternative methods for encoding quantum information into stabilizer codes at a fixed temperature, and we provide an effective method for warm-starting these encoding algorithms whenever a single qubit is encoded into multiple physical qubits.

量子热力学稳定子码算法设计材料模拟

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