Title | Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry |
Author | |
Publication Years | 2022-06-27
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DOI | |
Source Title | |
ISSN | 2469-9926
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EISSN | 2469-9934
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Volume | 105Issue:6Pages:062452 |
Abstract | The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum algorithms. A quantum-classical hybrid optimization scheme known as the variational quantum eigensolver is preferred for noisy intermediate-scale quantum devices. However, the circuit depth becomes one of the bottlenecks of its application to large molecules of more than 20 qubits. In this work, we employ point-group symmetry to reduce the number of operators in constructing ansatz so as to achieve a more compact quantum circuit. We illustrate this methodology with a series of molecules ranging from LiH (12 qubits) to C2H4 (28 qubits). A significant reduction of up to 82% of the operator numbers is reached on C2H4. This also sheds light onto further work in this direction to construct even shallower ansatz with enough expressive power and simulate even larger scale systems. |
URL | [Source Record] |
Indexed By | |
Language | English
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Important Publications | NI Journal Papers
|
SUSTech Authorship | Others
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Funding Project | National Science Foundation of China[
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WOS Research Area | Optics
; Physics
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WOS Subject | Optics
; Physics, Atomic, Molecular & Chemical
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WOS Accession No | WOS:000832054800011
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Publisher | |
EI Accession Number | 20222712324467
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EI Keywords | Computational Chemistry
; Ground State
; Lithium Compounds
; Polynomial Approximation
; Quantum Chemistry
; Quantum Theory
; Qubits
|
ESI Classification Code | Light, Optics And Optical Devices:741
; Nanotechnology:761
; Chemistry:801
; Physical Chemistry:801.4
; Numerical Methods:921.6
; Atomic And Molecular Physics:931.3
; Quantum Theory
; Quantum Mechanics:931.4
|
ESI Research Field | PHYSICS
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Scopus EID | 2-s2.0-85133334049
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Data Source | Web of Science
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Citation statistics |
Cited Times [WOS]:12
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Document Type | Journal Article |
Identifier | http://kc.sustech.edu.cn/handle/2SGJ60CL/355694 |
Department | Department of Physics 量子科学与工程研究院 理学院_化学系 |
Affiliation | 1.Central Research Institute,2012 Labs,Huawei Technologies,Shenzhen,518129,China 2.Department of Chemistry,Tsinghua University,Beijing,100084,China 3.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China 4.Shenzhen Institute for Quantum Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China 5.Department of Chemistry,Southern University of Science and Technology,Shenzhen,518055,China |
Recommended Citation GB/T 7714 |
Cao,Changsu,Hu,Jiaqi,Zhang,Wengang,et al. Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry[J]. PHYSICAL REVIEW A,2022,105(6):062452.
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APA |
Cao,Changsu.,Hu,Jiaqi.,Zhang,Wengang.,Xu,Xusheng.,Chen,Dechin.,...&Yung,Man Hong.(2022).Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry.PHYSICAL REVIEW A,105(6),062452.
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MLA |
Cao,Changsu,et al."Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry".PHYSICAL REVIEW A 105.6(2022):062452.
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