Exact Non-Markovian Quantum Dynamics on the NISQ Device Using Kraus Operators

Area of Science:

• Quantum physics
• Theoretical chemistry
• Computational science

Background:

• Open quantum systems theory is crucial for simulating quantum dynamics and understanding quantum technologies.
• Simulating charge and energy transfer in complex systems often involves challenging non-Markovian behavior.
• Classical simulations face exponential scaling issues with non-Markovian processes.

Purpose of the Study:

• To develop a quantum algorithm for accurate simulation of non-Markovian dynamics in open quantum systems at finite temperatures.
• To address the limitations of classical computational methods for complex quantum processes.

Main Methods:

• A new quantum algorithm based on Kraus operators is presented.
• Singular value decomposition (SVD) and optimal Walsh operators are employed for efficient quantum circuit implementation.
• The algorithm is designed to capture exact non-Markovian effects.

Main Results:

• The quantum algorithm successfully simulates spin-boson dynamics and exciton transfer in the Fenna-Matthews-Olson (FMO) complex.
• Near-term intermediate-scale quantum (NISQ) results demonstrate excellent agreement with exact simulations.
• The implementation results in shallow quantum circuits.

Conclusions:

• The developed quantum algorithm offers an efficient and accurate method for simulating non-Markovian dynamics.
• This approach holds significant potential for advancing quantum simulations in chemistry and materials science.
• The algorithm's feasibility on NISQ devices paves the way for future quantum computational chemistry applications.