我室Pavlo O. Dral教授在 JPCL 上发表论文：One-Shot Trajectory Learning of Open Quantum Systems Dynamics

摘要：Nonadiabatic quantum dynamics is important for understanding light-harvesting processes, but its propagation with traditional methods can be rather expensive. Here we present a one-shot trajectory learning approach that allows us to directly make an ultrafast prediction of the entire trajectory of the reduced density matrix for a new set of such simulation parameters as temperature and reorganization energy. The whole 10-ps-long propagation takes 70 ms as we demonstrate on the comparatively large quantum system, the Fenna–Matthews–Olsen (FMO) complex. Our approach also significantly reduces time and memory requirements for training.

文章链接：https://pubs.acs.org/doi/10.1021/acs.jpclett.2c01242