Publication details
The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry
| Authors | |
|---|---|
| Year of publication | 2022 |
| Type | Article in Periodical |
| Magazine / Source | Nanomaterials |
| MU Faculty or unit | |
| Citation | |
| web | https://www.mdpi.com/2079-4991/12/2/243 |
| Doi | http://dx.doi.org/10.3390/nano12020243 |
| Keywords | noisy quantum processors; variational quantum eigensolver; quantum chemistry |
| Description | New approaches into computational quantum chemistry can be developed through the use of quantum computing. While universal, fault-tolerant quantum computers are still not available, and we want to utilize today's noisy quantum processors. One of their flagship applications is the variational quantum eigensolver (VQE)-an algorithm for calculating the minimum energy of a physical Hamiltonian. In this study, we investigate how various types of errors affect the VQE and how to efficiently use the available resources to produce precise computational results. We utilize a simulator of a noisy quantum device, an exact statevector simulator, and physical quantum hardware to study the VQE algorithm for molecular hydrogen. We find that the optimal method of running the hybrid classical-quantum optimization is to: (i) allow some noise in intermediate energy evaluations, using fewer shots per step and fewer optimization iterations, but ensure a high final readout precision; (ii) emphasize efficient problem encoding and ansatz parametrization; and (iii) run all experiments within a short time-frame, avoiding parameter drift with time. Nevertheless, current publicly available quantum resources are still very noisy and scarce/expensive, and even when using them efficiently, it is quite difficult to perform trustworthy calculations of molecular energies. |
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