Abstract
AbstractThe variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenstates of a given Hamiltonian on noisy intermediate-scale quantum devices (NISQ). The practical realization is limited by the complexity of quantum circuits. Here we present an approach to reduce quantum circuit complexity in VQE for electronic structure calculations. Our ClusterVQE algorithm splits the initial qubit space into clusters which are further distributed on individual (shallower) quantum circuits. The clusters are obtained based on mutual information reflecting maximal entanglement between qubits, whereas inter-cluster correlation is taken into account via a new “dressed” Hamiltonian. ClusterVQE therefore allows exact simulation of the problem by using fewer qubits and shallower circuit depth at the cost of additional classical resources, making it a potential leader for quantum chemistry simulations on NISQ devices. Proof-of-principle demonstrations are presented for several molecular systems based on quantum simulators as well as IBM quantum devices.
Funder
DOE | LDRD | Los Alamos National Laboratory
Publisher
Springer Science and Business Media LLC
Subject
Computational Theory and Mathematics,Computer Networks and Communications,Statistical and Nonlinear Physics,Computer Science (miscellaneous)
Reference88 articles.
1. Gan, Z. & Harrison, R. J. Calibrating quantum chemistry: A multi-teraflop, parallel-vector, full-configuration interaction program for the cray-x1, in SC ’05: Proceedings of the 2005 ACM/IEEE Conference on Supercomputing (2005) pp. 22–22.
2. Chan, G. K.-L. & Sharma, S. The density matrix renormalization group in quantum chemistry. Ann. Rev. Phys. Chem. 62, 465–481 (2011).
3. Tubman, N. M. et al. Modern approaches to exact diagonalization and selected configuration interaction with the adaptive sampling ci method. J. Chem. Theory Comput. 16, 2139–2159 (2020).
4. Lyakh, D. I., Musiał, M., Lotrich, V. F. & Bartlett, R. J. Multireference nature of chemistry: The coupled-cluster view. Chem. Rev. 112, 182–243 (2012).
5. Cao, Y. et al. Quantum chemistry in the age of quantum computing. Chem. Rev. 119, 10856–10915 (2019).
Cited by
37 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献