用Ocean和Mukai求解器对电子结构QUBO进行采样
Sampling electronic structure QUBOs with Ocean and Mukai solvers
摘要：
最先进的D-Wave Advantage量子退火机有5000多个量子位，然而，每个量子位都连接到少量的邻居。因此，全连接图的实现导致量子比特计数的数量级减少。为了弥补量子比特数量的减少，人们不得不依赖于特殊的启发式软件，如qbsolv，其目的是将一个大问题分解成适合量子退火机的较小部分。在这项工作中，我们比较了这样的软件的两个实现的性能：原来的开源qbsolv，这是一个部分的D-波海洋工具和一个新的Mukai QUBO求解器从量子计算公司。（QCI）。比较是为了解决电子结构问题，并在一个经典的模式（禁忌搜索技术）。量子退火器本征解算器用于将电子结构本征值-本征向量方程映射为可在现代量子退火器上解决的一类问题。我们发现，Mukai QUBO求解器优于海洋qbsolv在目前的工作中所做的所有计算，无论是地面和激发态计算。这项工作刺激了软件的开发，以协助现代量子退火机的利用。
英文摘要：
The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit count. To compensate for the reduced number of qubits, one has to rely on special heuristic software such as qbsolv, the purpose of which is to decompose a large problem into smaller pieces that fit onto a quantum annealer. In this work, we compare the performance of two implementations of such software: the original open-source qbsolv which is a part of the D-Wave Ocean tools and a new Mukai QUBO solver from Quantum Computing Inc. (QCI). The comparison is done for solving the electronic structure problem and is implemented in a classical mode (Tabu search techniques). The Quantum Annealer Eigensolver is used to map the electronic structure eigenvalue-eigenvector equation to a type of problem solvable on modern quantum annealers. We find that the Mukai QUBO solver outperforms the Ocean qbsolv for all calculations done in the present work, both the ground and excited state calculations. This work stimulates the development of software to assist in the utilization of modern quantum annealers.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
