140 citations · 888 across the 21 of their papers we have counts for
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Can Chemically Inspired Parameter Initialization Mitigate Barren Plateaus in Variational Quantum Eigensolvers?
Zhangyu Yang, Jinzhao Sun, Jianpeng Chen +2
Recent advances in the variational quantum eigensolver (VQE) have strengthened its promise for molecular electronic-structure calculations on near-term noisy intermediate-scale qua…
Quantum Dynamical Approach to Predicting the Optical Pumping Threshold for Lasing in Organic Materials
Bin Zhang, Zhigang Shuai
We present a quantum dynamic study on organic lasing phenomena, which is a challenging issue in organic optoelectronics. Previously, phenomenological method has achieved success in…
Unified definition of exciton coherence length for exciton-phonon coupled molecular aggregates
Tong Jiang, Jiajun Ren, Zhigang Shuai
Exciton coherence length (ECL) is an essential concept to characterize the nature of exciton in molecular aggregates for photosynthesis, organic photovoltaics, and light-emitting d…
A General Automatic Method for Optimal Construction of Matrix Product Operators Using Bipartite Graph Theory
Jiajun Ren, Weitang Li, Tong Jiang +1
Constructing matrix product operators (MPO) is at the core of the modern density matrix renormalization group (DMRG) and its time dependent formulation. For DMRG to be conveniently…
Numerical Assessment for Accuracy and GPU Acceleration of TD-DMRG Time Evolution Schemes
Weitang Li, Jiajun Ren, Zhigang Shuai
Time dependent density matrix renormalization group (TD-DMRG) has become one of the cutting edge methods of quantum dynamics for complex systems. In this paper, we comparatively st…
General Approach To Compute Phosphorescent OLED Efficiency
Xu Zhang, Denis Jacquemin, Qian Peng +2
Phosphorescent organic light-emitting diodes (PhOLEDs) are widely used in the display industry. In PhOLEDs, cyclometalated Ir(III) complexes are the most widespread triplet emitter…
Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature
Jiajun Ren, Zhigang Shuai, Garnet Kin-Lic Chan
We implement and apply time-dependent density matrix renormalization group (TD-DMRG) algorithms at zero and finite temperature to compute the linear absorption and fluorescence spe…
Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings
Yuma Nakamura, Tianqi Zhao, Jinyang Xi +3
The intrinsic charge transport of stanene is investigated by using density function theory and density function perturbation theory coupled with Boltzmann transport equations from…
Triplet-Polaron Interaction Induced Upconversion from Triplet to Singlet: a New Way to Obtain Highly Efficient OLEDs
Ablikim Obolda, Qiming Peng, Chuanyou He +5
The triplet harvesting is a main challenge in organic light-emitting devices (OLEDs), due to the radiative decay of triplet is spin-forbidden. Here, we designed and synthesized two…