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20192026
most citedA General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings

97 citations · 519 across the 23 of their papers we have counts for

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7 papers · 1 filter

physics.chem-ph2026

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…

physics.chem-ph2025

A Further Comparison of MPS and TTNS for Nonadiabatic Dynamics of Exciton Dissociation

Weitang Li, Jiajun Ren, Jun Yan

Tensor networks, such as matrix product states (MPS) and tree tensor network states (TTNS), are powerful ansätze for simulating quantum dynamics. While both ansätze are theoretical…

physics.chem-ph2025★ 2 cited

Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers

Jingjing Li, Weitang Li, Xiaoxiao Xiao +4

Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for qua…

physics.chem-ph2024★ 10 cited

Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz

Weitang Li, Yufei Ge, Shixin Zhang +2

The variational quantum eigensolver (VQE) framework has been instrumental in advancing near-term quantum algorithms. However, parameter optimization remains a significant bottlenec…

physics.chem-ph2024★ 65 cited

A Hybrid Quantum Computing Pipeline for Real World Drug Discovery

Weitang Li, Zhi Yin, Xiaoran Li +10

Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential to revolutionize numerous scientific domains, including pharma…

physics.chem-ph2020★ 68 cited

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…

physics.chem-ph2019★ 80 cited

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…