Standard

Calculation of the moscovium ground-state energy by quantum algorithms. / Зайцев, Владимир Алексеевич; Грошев, Максим Эдуардович; Мальцев, Илья Александрович; Дурова, Анастасия Вячеславовна; Шабаев, Владимир Моисеевич.

In: International Journal of Quantum Chemistry, 08.09.2023.

Research output: Contribution to journal › Article › peer-review

Harvard

Зайцев, ВА, Грошев, МЭ, Мальцев, ИА, Дурова, АВ & Шабаев, ВМ 2023, 'Calculation of the moscovium ground-state energy by quantum algorithms', International Journal of Quantum Chemistry. https://doi.org/10.1002/qua.27232

APA

Зайцев, В. А., Грошев, М. Э., Мальцев, И. А., Дурова, А. В., & Шабаев, В. М. (2023). Calculation of the moscovium ground-state energy by quantum algorithms. International Journal of Quantum Chemistry, [e27232]. https://doi.org/10.1002/qua.27232

Vancouver

Зайцев ВА, Грошев МЭ, Мальцев ИА, Дурова АВ, Шабаев ВМ. Calculation of the moscovium ground-state energy by quantum algorithms. International Journal of Quantum Chemistry. 2023 Sep 8. e27232. https://doi.org/10.1002/qua.27232

Author

Зайцев, Владимир Алексеевич ; Грошев, Максим Эдуардович ; Мальцев, Илья Александрович ; Дурова, Анастасия Вячеславовна ; Шабаев, Владимир Моисеевич. / Calculation of the moscovium ground-state energy by quantum algorithms. In: International Journal of Quantum Chemistry. 2023.

BibTeX

@article{a8e89bc3813b456982026143492442ce,
title = "Calculation of the moscovium ground-state energy by quantum algorithms",
abstract = "We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.",
keywords = "quantum algorithms, superheavy elements",
author = "Зайцев, {Владимир Алексеевич} and Грошев, {Максим Эдуардович} and Мальцев, {Илья Александрович} and Дурова, {Анастасия Вячеславовна} and Шабаев, {Владимир Моисеевич}",
note = "FUNDING INFORMATION The work is supported by the Ministry of Science and Higher Education of the Russian Federation within the Grant No. 075-10-2020-117.",
year = "2023",
month = sep,
day = "8",
doi = "10.1002/qua.27232",
language = "English",
journal = "International Journal of Quantum Chemistry",
issn = "0020-7608",
publisher = "Wiley-Blackwell",

}

RIS

TY - JOUR

T1 - Calculation of the moscovium ground-state energy by quantum algorithms

AU - Зайцев, Владимир Алексеевич

AU - Грошев, Максим Эдуардович

AU - Мальцев, Илья Александрович

AU - Дурова, Анастасия Вячеславовна

AU - Шабаев, Владимир Моисеевич

N1 - FUNDING INFORMATION The work is supported by the Ministry of Science and Higher Education of the Russian Federation within the Grant No. 075-10-2020-117.

PY - 2023/9/8

Y1 - 2023/9/8

N2 - We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.

AB - We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.

KW - quantum algorithms

KW - superheavy elements

UR - http://arxiv.org/abs/2207.08255

UR - https://www.mendeley.com/catalogue/6bc7c15b-e67f-3151-b6f8-2e2aa85d923f/

U2 - 10.1002/qua.27232

DO - 10.1002/qua.27232

M3 - Article

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

M1 - e27232

ER -

ID: 110670286