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Variational Quantum Simulation for Quantum Chemistry
Author(s) -
Li Yifan,
Hu Jiaqi,
Zhang XiaoMing,
Song Zhigang,
Yung ManHong
Publication year - 2019
Publication title -
advanced theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.068
H-Index - 17
ISSN - 2513-0390
DOI - 10.1002/adts.201800182
Subject(s) - ansatz , hamiltonian (control theory) , quantum , coupled cluster , quantum algorithm , qubit , quantum computer , quantum chemistry , quantum simulator , chemistry , computer science , quantum mechanics , statistical physics , physics , mathematics , molecule , mathematical optimization , supramolecular chemistry
Variational quantum‐classical hybrid algorithms are emerging as important tools for simulating quantum chemistry with quantum devices. These algorithms can be applied to evaluate various molecular properties, including potential energy surfaces. Here in, recent progresses on the development of the so‐called variational quantum eigensolver (VQE) are surveyed. The eigensolver aims at reducing the consumption of quantum resources as much as possible. The key feature of VQE is that variation quantum states are optimized by a feedback process, where the measurement of the Hamiltonian is implemented term by term. This approach avoids the need of encoding all of the information about the molecular Hamiltonian in a quantum circuit. The VQE method is also compatible with classical methods in quantum chemistry, such as unitary coupled‐cluster ansatz. Furthermore, basic elements of VQE are covered, such as qubit encoding, mapping rules of the fermionic operators, ansatz preparation, together with several techniques for improving the performance, including constraining, and error mitigation.