Abstract
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.
| Original language | English |
|---|---|
| Title of host publication | Proceedings - 2022 IEEE International Conference on Quantum Computing and Engineering, QCE 2022 |
| Publisher | Institute of Electrical and Electronics Engineers Inc. |
| Pages | 813-815 |
| Number of pages | 3 |
| ISBN (Electronic) | 9781665491136 |
| DOIs | |
| State | Published - 2022 |
| Event | 3rd IEEE International Conference on Quantum Computing and Engineering, QCE 2022 - Broomfield, United States Duration: Sep 18 2022 → Sep 23 2022 |
Publication series
| Name | Proceedings - 2022 IEEE International Conference on Quantum Computing and Engineering, QCE 2022 |
|---|
Conference
| Conference | 3rd IEEE International Conference on Quantum Computing and Engineering, QCE 2022 |
|---|---|
| Country/Territory | United States |
| City | Broomfield |
| Period | 09/18/22 → 09/23/22 |
Funding
This work was supported by the Embedding Quantum Computing into Many-body Frameworks for Strongly Correlated Molecular and Materials Systems project, which is funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences. This work was also supported by the Quantum Science Center (QSC), a National Quantum Information Science Research Center of the U.S. Department of Energy (DOE) This work was supported by the “Embedding Quantum Computing into Many-body Frameworks for Strongly Correlated Molecular and Materials Systems” project, which is funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences. This work was also supported by the Quantum Science Center (QSC), a National Quantum Information Science Research Center of the U.S. Department of Energy (DOE). ACKNOWLEDGMENT This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facilities supported by the Oak Ridge National Laboratory under Contract DE-AC05-00OR22725.This research used resources of the Compute and Data Environmentfor Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.
Keywords
- Noise
- Quantum Chemistry
- Quantum Computing
- Variational Quantum Algorithms