Enhancing Open Quantum Dynamics Simulations Using Neural Network-Based Non-Markovian Stochastic Schrödinger Equation Method

Abstract: The Non-Markovian Stochastic Schrodinger Equation (NMSSE) offers a promising approach for open quantum simulations, especially in large systems, owing to its low scaling complexity and suitability for parallel computing. However, its application at low temperatures faces significant convergence challenges. While short-time evolution converges quickly, long-time evolution requires a much larger number of stochastic trajectories, leading to high computational costs. To this end,we propose a scheme that combines neural network techniques with simulations of the non-Markovian stochastic Schrodinger equation. By integrating convolutional neural networks (CNNs) and long short-term memory recurrent neural networks (LSTMs),along with the iterative attentional feature fusion (iAFF) technique, this approach significantly reduces the number of trajectories required for long-time simulations, particularly at low temperatures, thereby substantially lowering computational costs and improving convergence. To demonstrate our approach, we investigated the dynamics of the spin-boson model and the Fenna-Matthews-Olson (FMO) complex across a range of parameter variations.