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The Journal of Physical Chemistry Letters|October 27, 2023
What is Missing in the Mean Field Description of Spatial Distribution of Population? Important Role of Auxiliary Wave Packets in Trajectory BranchingGuijie Li, Zhecun Shi, Xin Guo, et al.Journal of Chemical Theory and Computation|June 3, 2026
Unbiased Fuzzy Global Optimization with Complex Three-Body Interactions: The Case of Large (C60)N Clusters with the First-Principles PPR PotentialGaoyan Chen, Tao Liang, Liping Chen, et al.The Journal of Chemical Physics|December 12, 2019
Unbiased fuzzy global optimization of Lennard-Jones clusters for N ≤ 1000Kailiang Yu, Xubo Wang, Liping Chen, et al.ACS Applied Materials & Interfaces|January 31, 2022
All-Atom Nonadiabatic Dynamics Simulation of Hybrid Graphene Nanoribbons Based on Wannier Analysis and Machine LearningZedong Wang, Jiawei Dong, Jing Qiu, et al.The Journal of Chemical Physics|April 23, 2022
Surface hopping dynamics in periodic solid-state materials with a linear vibronic coupling modelHua Xie, Xiaoliang Xu, Linjun Wang, et al.The Journal of Chemical Physics|March 2, 2022
Thermally activated intra-chain charge transport in high charge-carrier mobility copolymersRishat Dilmurat, Suryoday Prodhan, Linjun Wang, et al.The Journal of Physical Chemistry Letters|August 22, 2023
Learning Decoherence Time Formulas for Surface Hopping from Quantum DynamicsCancan Shao, Zhecun Shi, Jiabo Xu, et al.Science Progress|July 2, 2020
A new regularization method for dynamic load identificationLinjun Wang, Yang Huang, Youxiang Xie, et al.The Journal of Physical Chemistry Letters|October 14, 2024
Quasi-Diabatization Based on Minimizing Derivative Couplings in a Limited Configuration Space: Elimination of Boundary Condition DependenceZhaoyong Li, Chaoqun Zhang, Yifan Shen, et al.The Journal of Physical Chemistry. A|April 19, 2025
Triplet J-Driven DNP─A Proposal to Increase the Sensitivity of Solution-State NMR without MicrowaveMaria Grazia Concilio, Yiwen Wang, Linjun Wang, et al.Pageof 56