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Quantum embedding theories to simulate condensed systems on quantum computers
Christian Vorwerk1, Nan Sheng2, Marco Govoni3
1Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL, USA.
Nature Computational Science
|January 4, 2024
Summary
Quantum computing offers enhanced material simulations for complex systems. This study explores quantum electronic structure calculations for solids with spin defects, paving the way for future quantum technologies.
Area of Science:
- Quantum computing
- Materials science
- Solid-state physics
Background:
- Classical computers face limitations in simulating complex quantum systems and materials.
- Quantum computers promise significant advancements in computational efficiency for quantum simulations.
- Solid materials with spin defects are crucial for developing quantum technologies.
Purpose of the Study:
- To discuss computational frameworks for electronic structure calculations on noisy intermediate-scale quantum computers.
- To explore the application of embedding theories for solid materials hosting spin defects.
- To assess the potential of quantum simulations for realistic material systems.
Main Methods:
- Utilizing embedding theories within computational frameworks.
- Performing electronic structure calculations on noisy intermediate-scale quantum computers.
- Focusing on solid materials with spin defects as a case study.
Main Results:
- Demonstrated computational frameworks for quantum simulations of solids.
- Provided examples for solid materials hosting spin defects.
- Indicated that promising results for realistic systems are achievable with current quantum architectures.
Conclusions:
- Quantum simulations on noisy intermediate-scale quantum computers are feasible for complex material systems.
- Embedding theories offer a viable approach for electronic structure calculations in quantum simulations.
- Solid materials with spin defects are key candidates for advancing quantum technologies.
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