For instance, electrostatic embedding approach was proposed to accurately calculate the electrostatic interaction, and polarizable force fields have been introduced to account for interatomic polarization effects. Additionally, improvements in long-range interaction processing have enhanced the accuracy of simulations. Most of the above measures focus on improving simulation accuracy. However, the primary limitation to the broad application of multi-scale simulation techniques remains the simulation performance. That's to say the true bottleneck in QM/MM MD is the QM calculation, which is difficult to be accelerated significantly.