Numerical simulations of noisy quantum circuits for computational chemistry

被引：5
作者：
Jerimiah Wright
Meenambika Gowrishankar
Daniel Claudino
Phillip C. Lotshaw
Thien Nguyen
Alexander J. McCaskey
Travis S. Humble
机构：
[1] Oak Ridge National Laboratory,Quantum Computational Sciences Group
[2] Oak Ridge National Laboratory,Quantum Science Center
[3] University of Tennessee,Bredesen Center
[4] Oak Ridge National Laboratory,Beyond Moore Computing Group
来源：
Materials Theory | / 6卷 / 1期
关键词：
Variational Quantum Algorithms; Noise; Quantum Chemistry; Quantum Computing;
D O I：
10.1186/s41313-022-00047-7
中图分类号：
学科分类号：
摘要：
The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the behavior of these noisy quantum circuits using numerical simulations to estimate the accuracy and fidelity of the prepared quantum states relative to the ground truth obtained by conventional means. We implement several different types of ansatz circuits derived from unitary coupled cluster theory for the purposes of estimating the ground-state energy of sodium hydride using the variational quantum eigensolver algorithm. We show how relative error in the energy and the fidelity scale with the levels of gate-based noise, the internuclear configuration, the ansatz circuit depth, and the parameter optimization methods.
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