The exciton dynamics in one-dimensional stacked PBI (Perylene Bisimide) aggregates was studied with SQC-MM dynamics (Symmetrical Quasiclassical Dynamics based on the Meyer–Miller mapping Hamiltonian).

In this review, the transformative impact of integrating artificial intelligence (AI) and wireless communication technologies into the heliostat control systems of concentrated solar power (CSP) plants are explored. Heliostat control systems are categorized based on wired and wireless implementations, and calibration methods are analyzed from traditional methods, auxiliary equipment, and AI in detail. The applications of artificial intelligence, machine learning, and deep learning techniques enhance the accuracy, control ability, and prediction performance of CSP heliostat control systems. At the same time, wireless communications play an important role in reducing costs, enhancing scalability, and enabling more flexible deployment. The synergistic impact of AI and wireless technologies improves the efficiency, reliability, and economic viability of heliostat systems, and shows great potential in global energy transition.

Symmetrical quasi-classical (SQC) method based on mapping Hamiltonian is an efficient approach that is potentially useful to treat the nonadiabatic dynamics of very large systems. We try to evaluate the performance of this method in the ultrafast electron transfer processes involving a few of electronic states and a large number of vibrational modes. The multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method was used to get the accurate dynamical results for benchmark. Although the population dynamics in the long-time limit show differences in the ML-MCTDH and SQC calculations, the SQC method gives acceptable results.

Photoinduced excited-state energy transfer (EET) processes play a key role in the solar energy conversion of small molecule organic solar cells. We investigated intermolecular EET dynamics in the 2-[[7-(5-N,N-ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene]malononitrile (DTDCTB) dimer embedded in a crystal environment using full quantum dynamics, i.e., the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method. Two different stacking statuses of the DTDCTB dimers, which occur along the OA axis in the DTDCTB crystal, were considered. We built a vibronic diabatic Hamiltonian using the projection method based on quantum mechanics/molecular mechanics results. Different model Hamiltonians were considered in the full quantum dynamics studies. First, reduced-dimensional models were constructed by simply including more of the important vibrational modes. Second, we tried to construct a continuous spectral density based on the vibronic coupling strengths of different modes and then created a set of “pseudomodes” to represent electron–phonon couplings. The dynamics results based on these reduced models were compared with the results obtained with the full dimensional model. Our theoretical descriptions demonstrated that ultrafast intermolecular EET dynamics takes place in the well-stacked DTDCTB dimers. This work deepens our understanding of the photoinduced ultrafast EET dynamics of realistic organic photovoltaic systems at the full quantum mechanical level.

A symmetrical quasiclassical (SQC) dynamics approach based on the Li–Miller (LM) mapping Hamiltonian (SQC-LM) was employed to describe nonadiabatic dynamics.