An adaptive variational algorithm for exact molecular simulations on a quantum computer

Quantum algorithms for simulating chemical systems are limited because of the a priori assumption about the form of the target wavefunction. Here the authors present a new variational hybrid quantum-classical algorithm which allows the system being simulated to determine its own optimal state.

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Autores principales:	Harper R. Grimsley, Sophia E. Economou, Edwin Barnes, Nicholas J. Mayhall
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2019
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/4313a2e79d9641b7820f2b8b41d58aeb
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spelling	oai:doaj.org-article:4313a2e79d9641b7820f2b8b41d58aeb2021-12-02T15:35:37ZAn adaptive variational algorithm for exact molecular simulations on a quantum computer10.1038/s41467-019-10988-22041-1723https://doaj.org/article/4313a2e79d9641b7820f2b8b41d58aeb2019-07-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-10988-2https://doaj.org/toc/2041-1723Quantum algorithms for simulating chemical systems are limited because of the a priori assumption about the form of the target wavefunction. Here the authors present a new variational hybrid quantum-classical algorithm which allows the system being simulated to determine its own optimal state.Harper R. GrimsleySophia E. EconomouEdwin BarnesNicholas J. MayhallNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Harper R. Grimsley Sophia E. Economou Edwin Barnes Nicholas J. Mayhall An adaptive variational algorithm for exact molecular simulations on a quantum computer
description	Quantum algorithms for simulating chemical systems are limited because of the a priori assumption about the form of the target wavefunction. Here the authors present a new variational hybrid quantum-classical algorithm which allows the system being simulated to determine its own optimal state.
format	article
author	Harper R. Grimsley Sophia E. Economou Edwin Barnes Nicholas J. Mayhall
author_facet	Harper R. Grimsley Sophia E. Economou Edwin Barnes Nicholas J. Mayhall
author_sort	Harper R. Grimsley
title	An adaptive variational algorithm for exact molecular simulations on a quantum computer
title_short	An adaptive variational algorithm for exact molecular simulations on a quantum computer
title_full	An adaptive variational algorithm for exact molecular simulations on a quantum computer
title_fullStr	An adaptive variational algorithm for exact molecular simulations on a quantum computer
title_full_unstemmed	An adaptive variational algorithm for exact molecular simulations on a quantum computer
title_sort	adaptive variational algorithm for exact molecular simulations on a quantum computer
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/4313a2e79d9641b7820f2b8b41d58aeb
work_keys_str_mv	AT harperrgrimsley anadaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT sophiaeeconomou anadaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT edwinbarnes anadaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT nicholasjmayhall anadaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT harperrgrimsley adaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT sophiaeeconomou adaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT edwinbarnes adaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer AT nicholasjmayhall adaptivevariationalalgorithmforexactmolecularsimulationsonaquantumcomputer
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An adaptive variational algorithm for exact molecular simulations on a quantum computer

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