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The Journal of Chemical Physics|February 9, 2022
Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskitesWei Bin How, Bipeng Wang, Weibin Chu, et al.The Journal of Chemical Physics|January 19, 2011
Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hoppingSean A Fischer, Bradley F Habenicht, Angeline B Madrid, et al.Journal of the American Chemical Society|August 17, 2024
Tunable Ultrafast Charge Transfer across Homojunction InterfaceZhi-Guo Tao, Shihan Deng, Oleg V Prezhdo, et al.ACS Applied Materials & Interfaces|February 12, 2019
Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au-Cu Bimetallic Clusters on TiO2(101)Chuanyi Jia, Xijun Wang, Wenhui Zhong, et al.The Journal of Physical Chemistry Letters|May 31, 2025
Computational Screening of Ligands for Enhanced Interactions between Lead Halide Perovskite Quantum DotsElizabeth Stippell, Carlos Mora Perez, Nicholas Favate, et al.Nano Letters|February 3, 2018
Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped SemiconductorsLili Zhang, Qijing Zheng, Yu Xie, et al.The Journal of Physical Chemistry Letters|June 6, 2018
Superatom Molecular Orbital as an Interfacial Charge Separation StateHongli Guo, Chuanyu Zhao, Qijing Zheng, et al.Nano Letters|September 16, 2017
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure InterfaceQijing Zheng, Wissam A Saidi, Yu Xie, et al.Chemistry of Materials : a Publication of the American Chemical Society|April 1, 2024
Compression Eliminates Charge Traps by Stabilizing Perovskite Grain Boundary Structures: An Ab Initio Analysis with Machine Learning Force FieldDongyu Liu, Yifan Wu, Mikhail R Samatov, et al.Nano Letters|September 12, 2015
Observation of an Excitonic Quantum Coherence in CdSe NanocrystalsShuo Dong, Dhara Trivedi, Sabyasachi Chakrabortty, et al.Pageof 51