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@article{1841543,
author = {Miháliková, Ivana and Pivoluska, Matej and Plesch, Martin and Friák, Martin and Nagaj, Daniel and Šob, Mojmír},
article_location = {London},
article_number = {2},
doi = {http://dx.doi.org/10.3390/nano12020243},
keywords = {noisy quantum processors; variational quantum eigensolver; quantum chemistry},
language = {eng},
issn = {2079-4991},
journal = {Nanomaterials},
title = {The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry},
url = {https://www.mdpi.com/2079-4991/12/2/243},
volume = {12},
year = {2022}
}
TY - JOUR
ID - 1841543
AU - Miháliková, Ivana - Pivoluska, Matej - Plesch, Martin - Friák, Martin - Nagaj, Daniel - Šob, Mojmír
PY - 2022
TI - The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry
JF - Nanomaterials
VL - 12
IS - 2
SP - 1-22
EP - 1-22
PB - MDPI
SN - 20794991
KW - noisy quantum processors
KW - variational quantum eigensolver
KW - quantum chemistry
UR - https://www.mdpi.com/2079-4991/12/2/243
N2 - 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.
ER -
MIHÁLIKOVÁ, Ivana, Matej PIVOLUSKA, Martin PLESCH, Martin FRIÁK, Daniel NAGAJ and Mojmír ŠOB. The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry. \textit{Nanomaterials}. London: MDPI, 2022, vol.~12, No~2, p.~1-22. ISSN~2079-4991. Available from: https://dx.doi.org/10.3390/nano12020243.
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