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Convolutional Neural Networks for Long Time Dissipative Quantum Dynamics.

Luis E Herrera RodríguezAlexei A Kananenka
Published in: The journal of physical chemistry letters (2021)
Exact numerical simulations of dynamics of open quantum systems often require immense computational resources. We demonstrate that a deep artificial neural network composed of convolutional layers is a powerful tool for predicting long-time dynamics of open quantum systems provided the preceding short-time evolution of a system is known. The neural network model developed in this work simulates long-time dynamics efficiently and accurately across different dynamical regimes from weakly damped coherent motion to incoherent relaxation. The model was trained on a data set relevant to photosynthetic excitation energy transfer and can be deployed to study long-lasting quantum coherence phenomena observed in light-harvesting complexes. Furthermore, our model performs well for the initial conditions different than those used in the training. Our approach reduces the required computational resources for long-time simulations and holds the promise for becoming a valuable tool in the study of open quantum systems.
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