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Integrating Self-Initialized Local Thermalizing Lindblad Operators for Variational Quantum Algorithm with Quantum

Zhihao Lan1, WanZhen Liang1

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Summary

This study introduces VQS-QJ-LTLME, a novel quantum computing scheme for simulating open quantum systems. It efficiently models complex dynamics, reducing errors and enabling accurate simulations on current quantum devices.

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Area of Science:

  • Quantum Computing
  • Quantum Simulation
  • Computational Chemistry

Background:

  • Simulating quantum systems, especially molecular systems, is a key application for quantum computing.
  • Modeling non-unitary dynamics of open quantum systems remains a significant challenge for current quantum computers.
  • Existing methods struggle with error accumulation and resource requirements.

Purpose of the Study:

  • To present a new quantum computing scheme, VQS-QJ-LTLME, for simulating open quantum systems.
  • To address the challenges of simulating non-unitary dynamics and system-environment interactions.
  • To develop an efficient algorithm suitable for noisy intermediate-scale quantum (NISQ) devices.

Main Methods:

  • The VQS-QJ-LTLME scheme combines quantum jump Monte Carlo wave function variational evolution with local thermalizing Lindblad operators.
  • It utilizes trajectory averaging to evolve the system's density matrix, enabling circuit initialization post-evolution to mitigate error accumulation.
  • An efficient sampling method, No-evolution sampling (NES), is introduced to accelerate Monte Carlo sampling.

Main Results:

  • The VQS-QJ-LTLME algorithm requires only logarithmic qubits (log₂(n)) and has a favorable time complexity, making it suitable for NISQ devices.
  • VQS-QJ-LTLME with NES significantly reduces the number of quantum trajectories needed, with rapid classical post-processing.
  • Simulations of a spin-boson model and a Fenna-Matthews-Olson system showed close agreement with classical methods.

Conclusions:

  • VQS-QJ-LTLME offers an efficient and accurate method for simulating open quantum systems on current quantum hardware.
  • The integration of NES enhances computational speed, making complex quantum simulations more feasible.
  • This approach paves the way for advanced quantum simulations in chemistry and materials science.