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The Journal of Physical Chemistry Letters|April 19, 2021
Strong Modulation of Band Gap, Carrier Mobility and Lifetime in Two-Dimensional Black Phosphorene through Acoustic Phonon ExcitationHongli Guo, Weibin Chu, Oleg V Prezhdo, et al.Journal of the American Chemical Society|November 7, 2024
Mitigating Band Tailing in Kesterite Solar Absorbers: Ab Initio Quantum DynamicsPingzhi Zhang, Elizabeth Stippell, Zhufeng Hou, et al.ACS Applied Materials & Interfaces|April 1, 2021
Why Hybrid Tin-Based Perovskites Simultaneously Improve the Structural Stability and Charge Carriers' Lifetime: Ab Initio Quantum DynamicsAkang Li, Qi Liu, WeiBin Chu, et al.The Journal of Physical Chemistry Letters|September 16, 2024
Lanthanide Atoms Induce Strong Graphene Sheet Distortion When Adsorbed on Stone-Wales DefectsVladimir A Basiuk, Yifan Wu, Oleg V Prezhdo, et al.Nano Letters|May 19, 2025
Picosecond Valley Manipulation in Two-Dimensional In2Se3 via Ferroelectric SwitchingZhaorui Xia, Oleg V Prezhdo, Wenguang Zhu, et al.Nanoscale|April 16, 2024
Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted ab initio quantum dynamicsSraddha Agrawal, Bipeng Wang, Yifan Wu, et al.The Journal of Physical Chemistry Letters|June 23, 2026
Efficient Nonadiabatic Molecular Dynamics with Machine Learning Hamiltonian InterpolationYifan Wu, Bipeng Wang, Mohit Chaudhary, et al.The Journal of Physical Chemistry Letters|April 18, 2022
Ag-Bi Charge Redistribution Creates Deep Traps in Defective Cs2AgBiBr6: Machine Learning Analysis of Density Functional TheoryDongyu Liu, Carlos Mora Perez, Andrey S Vasenko, et al.Nano Letters|April 18, 2019
Coexistence of Different Charge-Transfer Mechanisms in the Hot-Carrier Dynamics of Hybrid Plasmonic NanomaterialsJin Zhang, Mengxue Guan, Johannes Lischner, et al.The Journal of Chemical Physics|January 14, 2014
Analysis of depolarization ratios of ClNO(2) dissolved in methanolMarilena Trimithioti, Alexey V Akimov, Oleg V Prezhdo, et al.Pageof 51