Convolutional Neural Networks for Long Time Dissipative Quantum Dynamics.
Luis E Herrera RodríguezAlexei A KananenkaPublished 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.
Keyphrases
- energy transfer
- neural network
- molecular dynamics
- quantum dots
- monte carlo
- minimally invasive
- density functional theory
- convolutional neural network
- big data
- computed tomography
- magnetic resonance
- magnetic resonance imaging
- diffusion weighted imaging
- body composition
- mass spectrometry
- contrast enhanced
- resistance training