中文版 | English
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
DOI
Source Title
ISSN
2469-9926
EISSN
2469-9934
Volume105Issue: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
SCI ; EI
Language
English
Important Publications
NI Journal Papers
SUSTech Authorship
Others
Funding Project
National Science Foundation of China[
WOS Research Area
Optics ; Physics
WOS Subject
Optics ; Physics, Atomic, Molecular & Chemical
WOS Accession No
WOS:000832054800011
Publisher
EI Accession Number
20222712324467
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
Scopus EID
2-s2.0-85133334049
Data Source
Web of Science
Citation statistics
Cited Times [WOS]:7
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/355694
DepartmentDepartment 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.
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.
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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