Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models
Abstract
Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of d and f electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than 99.9% can be achieved using about 214 shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below 10-3, which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of 0.7%.
- Authors:
-
[3];
[3]
- Ames Laboratory, Ames, IA (United States)
- Ames Laboratory, and Iowa State University, Ames, IA (United States); University of Maryland, College Park, MD (United States)
- Ames Laboratory, and Iowa State University, Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Energy Research Scientific Computing Center (NERSC)
- OSTI Identifier:
- 1908938
- Report Number(s):
- IS-J-10,979
Journal ID: ISSN 2399-3650
- Grant/Contract Number:
- AC02-07CH11358; AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Communications Physics
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 1; Journal ID: ISSN 2399-3650
- Publisher:
- Springer Nature
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING
Citation Formats
Mukherjee, Anirban, Berthusen, Noah F., Getelina, João C., Orth, Peter P., and Yao, Yong-Xin. Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models. United States: N. p., 2023.
Web. doi:10.1038/s42005-022-01089-6.
Mukherjee, Anirban, Berthusen, Noah F., Getelina, João C., Orth, Peter P., & Yao, Yong-Xin. Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models. United States. https://doi.org/10.1038/s42005-022-01089-6
Mukherjee, Anirban, Berthusen, Noah F., Getelina, João C., Orth, Peter P., and Yao, Yong-Xin. Wed .
"Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models". United States. https://doi.org/10.1038/s42005-022-01089-6. https://www.osti.gov/servlets/purl/1908938.
@article{osti_1908938,
title = {Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models},
author = {Mukherjee, Anirban and Berthusen, Noah F. and Getelina, João C. and Orth, Peter P. and Yao, Yong-Xin},
abstractNote = {Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of d and f electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than 99.9% can be achieved using about 214 shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below 10-3, which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of 0.7%.},
doi = {10.1038/s42005-022-01089-6},
journal = {Communications Physics},
number = 1,
volume = 6,
place = {United States},
year = {Wed Jan 04 00:00:00 EST 2023},
month = {Wed Jan 04 00:00:00 EST 2023}
}
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