Author
Listed:
- Seunghoon Lee
(California Institute of Technology)
- Joonho Lee
(Columbia University)
- Huanchen Zhai
(California Institute of Technology)
- Yu Tong
(University of California)
- Alexander M. Dalzell
(AWS Center for Quantum Computing)
- Ashutosh Kumar
(Virginia Tech
Los Alamos National Laboratory)
- Phillip Helms
(California Institute of Technology)
- Johnnie Gray
(California Institute of Technology)
- Zhi-Hao Cui
(California Institute of Technology)
- Wenyuan Liu
(California Institute of Technology)
- Michael Kastoryano
(AWS Center for Quantum Computing
Amazon Quantum Solutions Lab)
- Ryan Babbush
(Google Quantum AI)
- John Preskill
(AWS Center for Quantum Computing
California Institute of Technology)
- David R. Reichman
(Columbia University)
- Earl T. Campbell
(Riverlane)
- Edward F. Valeev
(Virginia Tech)
- Lin Lin
(University of California
Lawrence Berkeley National Laboratory)
- Garnet Kin-Lic Chan
(California Institute of Technology)
Abstract
Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem.
Suggested Citation
Seunghoon Lee & Joonho Lee & Huanchen Zhai & Yu Tong & Alexander M. Dalzell & Ashutosh Kumar & Phillip Helms & Johnnie Gray & Zhi-Hao Cui & Wenyuan Liu & Michael Kastoryano & Ryan Babbush & John Presk, 2023.
"Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry,"
Nature Communications, Nature, vol. 14(1), pages 1-7, December.
Handle:
RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-37587-6
DOI: 10.1038/s41467-023-37587-6
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