论文标题
通过在高性能计算机上模拟益生元分子的基态能量，对变异量子本质量器进行基准测试
Benchmarking the Variational Quantum Eigensolver through Simulation of the Ground State Energy of Prebiotic Molecules on High-Performance Computers
论文作者
论文摘要
我们使用在Qiskit软件包中实现的变异量子本质量（VQE）来计算源自水，h $ _2 $ O和HCN的氢氰化物的小分子的基态能量。这项工作旨在基准基准算法，以计算与益生元化学相关的分子的电子结构和能量表面，从水和氰化氢开始，并在可用的模拟和物理量子硬件上运行它们。小量子处理器的算法的数值计算使我们能够设计更有效的协议，可以在实际硬件中运行，并分析其性能。对可访问量子处理原型的未来实现将基准测试量子计算机，并通过启发式量子算法提供量子优势的测试。
We use the Variational Quantum Eigensolver (VQE) as implemented in the Qiskit software package to compute the ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims to benchmark algorithms for calculating the electronic structure and energy surfaces of molecules of relevance to prebiotic chemistry, beginning with water and hydrogen cyanide, and to run them on the available simulated and physical quantum hardware. The numerical calculations of the algorithms for small quantum processors allow us to design more efficient protocols to be run in real hardware, as well as to analyze their performance. Future implementations on accessible quantum processing prototypes will benchmark quantum computers and provide tests of quantum advantage with heuristic quantum algorithms.
