论文标题
量子计算设备上可扩展分子模拟的合同特征值方程的量子求解器
Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices
论文作者
论文摘要
在物理和计算科学中，众多量子量子系统的地面和激发态的准确计算是当代和计算科学中最重要的挑战之一，这些挑战的解决方案将从量子计算设备的出现中显着受益。使用相估计或变分算法的现有方法具有潜在的缺点，例如需要大量误差校正或非平凡的高维经典优化的深度电路。在这里，我们介绍了合同特征值方程的量子求解器，即能量的经典方法的量子类似物以及地面和激发态的密度矩阵降低。求解器不需要深层电路或困难的经典优化，并且可以实现确切的经典算法的指数加速。我们通过对量子模拟器和两个IBM量子处理单元进行的计算来演示算法。
The accurate computation of ground and excited states of many-fermion quantum systems is one of the most consequential, contemporary challenges in the physical and computational sciences whose solution stands to benefit significantly from the advent of quantum computing devices. Existing methodologies using phase estimation or variational algorithms have potential drawbacks such as deep circuits requiring substantial error correction or non-trivial high-dimensional classical optimization. Here we introduce a quantum solver of contracted eigenvalue equations, the quantum analogue of classical methods for the energies and reduced density matrices of ground and excited states. The solver does not require deep circuits or difficult classical optimization and achieves an exponential speed-up of the exact classical algorithms. We demonstrate the algorithm though computations on both a quantum simulator and two IBM quantum processing units.
