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The Journal of Physical Chemistry Letters|November 21, 2023
Lattice Distortion and Low-Frequency Anharmonic Phonons Suppress Charge Recombination in Lead Halide Perovskites upon Pseudohalide Doping: Time-Domain Ab Initio AnalysisTeng-Fei Lu, Weibin Chu, Sraddha Agrawal, et al.
The Journal of Physical Chemistry Letters|December 13, 2021
Significance of the Chemical Environment of an Element in Nonadiabatic Molecular Dynamics: Feature Selection and Dimensionality Reduction with Machine LearningWei Bin How, Bipeng Wang, Weibin Chu, et al.
The Journal of Physical Chemistry. B|March 17, 2010
Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics studyTammie R Nelson, Vitaly V Chaban, Oleg N Kalugin, et al.
The Journal of Physical Chemistry. B|November 19, 2010
Vibrational energy transfer between carbon nanotubes and nonaqueous solvents: a molecular dynamics studyTammie R Nelson, Vitaly V Chaban, Victor V Prezhdo, et al.
The Journal of Physical Chemistry. B|June 13, 2012
Acetonitrile boosts conductivity of imidazolium ionic liquidsVitaly V Chaban, Iuliia V Voroshylova, Oleg N Kalugin, et al.
ACS Nano|June 30, 2012
Surface ligands increase photoexcitation relaxation rates in CdSe quantum dotsSvetlana Kilina, Kirill A Velizhanin, Sergei Ivanov, et al.
The Journal of Physical Chemistry Letters|October 7, 2024
Identifying Rare Events in Quantum Molecular Dynamics of Nanomaterials with Outlier Detection IndicesBipeng Wang, Dongyu Liu, Yifan Wu, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 30, 2024
Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learningDongyu Liu, Bipeng Wang, Yifan Wu, et al.
Nano Letters|December 19, 2023
Excitonic Quantum Coherence in Light Emission from CsPbBr3 Metal-Halide Perovskite NanocrystalsDallas Strandell, Carlos Mora Perez, Yifan Wu, et al.
The Journal of Physical Chemistry. B|May 5, 2020
Combining Lindblad Master Equation and Surface Hopping to Evolve Distributions of Quantum ParticlesYi-Siang Wang, Parmeet Nijjar, Xin Zhou, et al.
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