Exploiting Locality in Quantum Computation for Quantum Chemistry
Exploiting Locality in Quantum Computation for Quantum Chemistry
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DOI：
10.1021/jz501649m
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发表时间：
2014-12-18
影响因子：
5.7
通讯作者：
Aspuru-Guzik, Alan
中科院分区：
文献类型：
--
作者：
McClean, Jarrod R.;Babbush, Ryan;Aspuru-Guzik, Alan
从第一性原理量子化学中精确预测化学和材料性质对传统计算机来说是一项具有挑战性的任务。量子计算的最新发展提供了一条以多项式为代价的高精度解决方案的途径;然而，这种解决方案仍然带来很大的开销。在这个角度来看，我们的目标是把已知的结果从量子化学的物理相互作用的局部性与量子计算的想法。我们表明，利用空间局域性结合的Bravyi-Kitaev变换提供了一个改进的量子化学的已知量子算法的缩放，并提供了数值例子来帮助说明这一点。我们将联合收割机结合起来，以改善量子计算机上量子化学的未来前景。
Accurate prediction of chemical and material properties from first-principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route toward highly accurate solutions with polynomial cost; however, this solution still carries a large overhead. In this Perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry and provides numerical examples to help illustrate this point. We combine these developments to improve the outlook for the future of quantum chemistry on quantum computers.