Analysis of superfast encoding performance for electronic structure simulations
Analysis of superfast encoding performance for electronic structure simulations
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DOI：
10.1103/physreva.100.032337
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发表时间：
2019-07
影响因子：
2.9
通讯作者：
Riley W. Chien;S. Xue;Tarini S Hardikar;Kanav Setia;J. Whitfield
中科院分区：
文献类型：
--
作者：
Riley W. Chien;S. Xue;Tarini S Hardikar;Kanav Setia;J. Whitfield
在我们最近的工作中，我们在量子模拟的背景下研究了各种费米子到量子比特的映射，包括原始的Bravyi-Kitaev超快编码（OSE）以及广义版本（GSE）。我们回到OSE，并将其与考虑所需量子位数的量子化学的Jordan Wigner（JW）变换进行比较，变换后的哈密顿量中的项的Pauli权重和哈密顿量的$L_1$范数。我们考虑了一组被称为原子化能量6（AE 6）的分子系统以及氢晶格。我们的研究结果表明，OSE的资源效率是强烈的影响的基础单粒子基础的空间局域性。我们发现，OSE是优于JW时，在底层的单粒子基础上的轨道是高度重叠的，这限制了其适用性，利用标准基组的近期量子化学模拟。相比之下，当轨道只与少数其他轨道重叠时，就像氢晶格具有非常紧的轨道的情况一样，OSE相对更好。我们的研究结果说明了在模拟物理系统时，选择正确的基组和费米子到量子比特映射的组合以充分利用量子设备的重要性。
In our recent work, we have examined various fermion to qubit mappings in the context of quantum simulation including the original Bravyi-Kitaev Superfast encoding (OSE) as well as a generalized version (GSE). We return to OSE and compare it against the Jordan-Wigner (JW) transform for quantum chemistry considering the number of qubits required, the Pauli weight of terms in the transformed Hamiltonians, and the $L_1$ norm of the Hamiltonian. We considered a test set of molecular systems known as the Atomization Energy 6 (AE6) as well as Hydrogen lattices. Our results showed that the resource efficiency of OSE is strongly affected by the spatial locality of the underlying single-particle basis. We find that OSE is outperformed by JW when the orbitals in the underlying single-particle basis are highly overlapping, which limits its applicability to near-term quantum chemistry simulations utilizing standard basis sets. In contrast, when orbitals are overlapping with only few others, as is the case of Hydrogen lattices with very tight orbitals, OSE fares comparatively better. Our results illustrate the importance of choosing the right combination of basis sets and fermion to qubit mapping to get the most out of a quantum device when simulating physical systems.