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A Variational Ansatz for Taylorized Imaginary Time Evolution.
Matthias Koch1, Oliver Schaudt1, Georg Mogk1
1Applied Mathematics, Bayer AG, 51368 Leverkusen, Germany.
ACS Omega
|July 3, 2023
Summary
This study introduces a new variational ansatz for noisy quantum computers to predict molecular properties. The method uses imaginary time evolution to efficiently calculate ground states, overcoming limitations of current quantum hardware.
Area of Science:
- Quantum computing
- Computational chemistry
- Materials science
Background:
- Predicting molecular properties is crucial for science and industry.
- Classical algorithms struggle with complex, strongly correlated molecular systems.
- Quantum computation offers potential for advanced molecular simulations.
Purpose of the Study:
- To develop a variational ansatz for current noisy quantum computers.
- To enable accurate calculation of ground states for molecular systems.
- To address the limitations of existing quantum hardware for molecular simulations.
Main Methods:
- Utilizing imaginary time evolution for ground state calculations.
- Implementing the non-unitary imaginary time evolution operator via linear decomposition and Taylor series expansion.
- Employing shallow quantum circuits suitable for noisy quantum computers.
Main Results:
- The proposed variational ansatz is compatible with current noisy quantum computers.
- The method allows for the computation of ground states using shallow quantum circuits.
- The algorithm's parallel nature offers potential for further speed-up.
Conclusions:
- This approach provides a viable method for molecular simulations on near-term quantum devices.
- The technique overcomes hardware limitations by using efficient circuit implementations.
- Further optimization and access to quantum computing resources can enhance simulation capabilities.
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