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Gutzwiller hybrid quantum-classical computing approach for correlated materials
Physical Review Research
  • Yongxin Yao, Iowa State University and Ames Laboratory
  • Feng Zhang, Ames Laboratory
  • Cai-Zhuang Wang, Iowa State University and Ames Laboratory
  • Kai-Ming Ho, Iowa State University and Ames Laboratory
  • Peter P. Orth, Iowa State University and Ames Laboratory
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
2-1-2021
DOI
10.1103/PhysRevResearch.3.013184
Abstract

Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as the variational quantum eigensolver (VQE), that can address open challenges in quantum chemistry, physics, and material science. Proof-of-principle quantum chemistry simulations for small molecules have been demonstrated on NISQ devices. While several approaches have been theoretically proposed for correlated materials, NISQ simulations of interacting periodic models on current quantum devices have not yet been demonstrated. Here, we develop a hybrid quantum-classical simulation framework for correlated electron systems based on the Gutzwiller variational embedding approach. We implement this framework on Rigetti quantum processing units (QPUs) and apply it to the periodic Anderson model, which describes a correlated heavy electron band hybridizing with noninteracting conduction electrons. Our simulation results quantitatively reproduce the known ground state quantum phase diagram including metallic, Kondo and Mott insulating phases. This is the first fully self-consistent hybrid quantum-classical simulation of an infinite correlated lattice model executed on QPUs, demonstrating that the Gutzwiller hybrid quantum-classical embedding framework is a powerful approach to simulate correlated materials on NISQ hardware. This benchmark study also puts forth a concrete pathway towards practical quantum advantage on NISQ devices.

Comments

This article is published as Yao, Yongxin, Feng Zhang, Cai-Zhuang Wang, Kai-Ming Ho, and Peter P. Orth. "Gutzwiller Hybrid Quantum-Classical Computing Approach for Correlated Materials." Physical Review Research 3, no. 1 (2021): 013184. DOI: 10.1103/PhysRevResearch.3.013184. Posted with permission.

Creative Commons License
Creative Commons Attribution 4.0 International
Copyright Owner
The Author(s)
Language
en
File Format
application/pdf
Citation Information
Yongxin Yao, Feng Zhang, Cai-Zhuang Wang, Kai-Ming Ho, et al.. "Gutzwiller hybrid quantum-classical computing approach for correlated materials" Physical Review Research Vol. 3 Iss. 1 (2021) p. 013184
Available at: http://works.bepress.com/peter-orth/36/