Solving Quantum Chemistry Problems with a D-Wave Quantum Annealer
Solving Quantum Chemistry Problems with a D-Wave Quantum Annealer
复制标题
使用 D 波量子退火器解决量子化学问题
DOI：
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发表时间：
2018
期刊：
影响因子：
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通讯作者：
M. Leib
中科院分区：
文献类型：
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作者：
Michael Streif;F. Neukart;M. Leib
人们对量子退火器进行了各种分析，以便对其在实际应用中的有效性进行分类。虽然已经成功地证明，这种系统一般可以用于解决组合优化问题，但它们还没有被用于解决化学应用。本文应用了Xia等人提出的一个映射。(物理化学期刊B 122.13(2017年)：3384-3395.)，从量子化学哈密顿量到伊辛自旋玻璃公式，并用量子退火器计算基态能量。此外，我们还研究了在有限连接性的量子退火炉上所需的物理量子比特的比例。据我们所知，这是第一次在量子退火器上进行量子化学问题的实验研究。我们发现，当前的量子退火技术导致了这类固有的量子问题的指数标度，并且新的耦合器对于使量子退火剂对量子化学具有吸引力是必要的。
Quantum annealing devices have been subject to various analyses in order to classify their usefulness for practical applications. While it has been successfully proven that such systems can in general be used for solving combinatorial optimization problems, they have not been used to solve chemistry applications. In this paper we apply a mapping, put forward by Xia et al. (The Journal of Physical Chemistry B 122.13 (2017): 3384-3395.), from a quantum chemistry Hamiltonian to an Ising spin glass formulation and find the ground state energy with a quantum annealer. Additionally we investigate the scaling in terms of needed physical qubits on a quantum annealer with limited connectivity. To the best of our knowledge, this is the first experimental study of quantum chemistry problems on quantum annealing devices. We find that current quantum annealing technologies result in an exponential scaling for such inherently quantum problems and that new couplers are necessary to make quantum annealers attractive for quantum chemistry.