Harnessing deep reinforcement learning to construct time-dependent optimal fields for quantum control dynamics†
We present an efficient deep reinforcement learning (DRL) approach to automatically construct time-dependent optimal control fields that enable desired transitions in dynamical chemical systems. Our DRL approach gives impressive performance in constructing optimal control fields, even for cases that are difficult to converge with existing gradient-based approaches. We provide a detailed description of the algorithms and hyperparameters as well as performance metrics for our DRL-based approach. Our results demonstrate that DRL can be employed as an effective artificial intelligence approach to efficiently and autonomously design control fields in quantum dynamical chemical systems.
- This article is part of the themed collections: 2022 PCCP HOT Articles and Insightful Machine Learning for Physical Chemistry