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Journal Articles

Radiation stability and defect characteristics of CsPbBr3 perovskite crystals for room temperature radiation detection

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Zhifu Liu, John A. Peters, Khasim Saheb Bayikadi, Safdar Imam, Douglas E. Wolfe, Mercouri G. Kanatzidis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034710 (2025)
https://doi.org/10.1063/5.0271053
Published: July 2025
View article titled, Radiation stability and defect characteristics of CsPbBr3 perovskite crystals for room temperature radiation detection
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Journal Articles

Non-Markovian effects in long-range polariton-mediated energy transfer

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Kristin B. Arnardottir, Piper Fowler-Wright, Christos Tserkezis, Brendon W. Lovett, Jonathan Keeling
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024320 (2025)
https://doi.org/10.1063/5.0245977
Published: July 2025
View article titled, Non-Markovian effects in long-range polariton-mediated energy transfer
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Journal Articles

Graph neural networks to predict atomic transition charges and exciton couplings in organic semiconductors

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Geoffrey R. Weal, Maryam Nurhuda, Justin M. Hodgkiss, Paul A. Hume, Daniel M. Packwood
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024125 (2025)
https://doi.org/10.1063/5.0273675
Published: July 2025
View article titled, Graph neural networks to predict atomic transition charges and exciton couplings in organic semiconductors
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Journal Articles

First-principles stochastic Schrödinger dynamics of photoinduced charge separation: Full quantum evolution in ZnPc–F8ZnPc aggregates

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Shishi Feng, Qiuyue Ge, Rongkun Zhou, Zilong Zheng, WanZhen Liang, Yi Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024113 (2025)
https://doi.org/10.1063/5.0276800
Published: July 2025
View article titled, First-principles stochastic Schrödinger dynamics of photoinduced charge separation: Full quantum evolution in ZnPc–F8ZnPc aggregates
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Journal Articles

Bayesian-recovered ultrafast dynamics in solids across four decades of time and energy

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Jie Pan, Elad Harel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024202 (2025)
https://doi.org/10.1063/5.0268719
Published: July 2025
View article titled, Bayesian-recovered ultrafast dynamics in solids across four decades of time and energy
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Journal Articles

Kerr nonlinearity in cavity-enhanced conical-intersection-driven singlet fission

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Youhao Chang, Kewei Sun, Maxim F. Gelin, Yang Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024107 (2025)
https://doi.org/10.1063/5.0274072
Published: July 2025
View article titled, Kerr nonlinearity in cavity-enhanced conical-intersection-driven singlet fission
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Journal Articles

Pressure-dependent exciton absorption and photoluminescence in colloidal InAs/ZnSe core/shell quantum dots

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Ian M. Murray, Sinil Choi, Henry M. Jemison, Sunghu Kim, Alison B. Altman, Sohee Jeong, Dong Hee Son
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024703 (2025)
https://doi.org/10.1063/5.0270400
Published: July 2025
View article titled, Pressure-dependent exciton absorption and photoluminescence in colloidal InAs/ZnSe core/shell quantum dots
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Journal Articles

Electron–vibrational resonance and optical lineshapes: Complex time-dependent Redfield theory vs vibronic picture

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Vladimir I. Novoderezhkin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 014108 (2025)
https://doi.org/10.1063/5.0273301
Published: July 2025
View article titled, Electron–vibrational resonance and optical lineshapes: Complex time-dependent Redfield theory vs vibronic picture
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Journal Articles

Wavefunction-based simulations of 2D electronic spectroscopy of conjugated polymers: Signatures of exciton transport and coherent vibronic dynamics at finite temperature

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Dominik Brey, Irene Burghardt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 244112 (2025)
https://doi.org/10.1063/5.0274157
Published: June 2025
View article titled, Wavefunction-based simulations of 2D electronic spectroscopy of conjugated polymers: Signatures of exciton transport and coherent vibronic dynamics at finite temperature
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Journal Articles

Cotunneling assisted nonequilibrium thermodynamics of a photosynthetic junction

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Debasish Sharma, Manash Jyoti Sarmah, Mriganka Sandilya, Himangshu Prabal Goswami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 245101 (2025)
https://doi.org/10.1063/5.0256338
Published: June 2025
View article titled, Cotunneling assisted nonequilibrium thermodynamics of a photosynthetic junction
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Journal Articles

Effect of carrier dynamics on mode shift in the ultrafast timescale of perovskite microlasers

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Canpu Yang, Yuheng Liu, Wenjiang Tan, Jinhai Si, Xun Hou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194705 (2025)
https://doi.org/10.1063/5.0268133
Published: May 2025
View article titled, Effect of carrier dynamics on mode shift in the ultrafast timescale of perovskite microlasers
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Journal Articles

Optical spectra of complex aggregates and crystals: Vibronic band structure and Davydov splitting

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Davide Giavazzi, Robert Schwarzl, Anna Painelli, Frank C. Spano
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 174113 (2025)
https://doi.org/10.1063/5.0263317
Published: May 2025
View article titled, Optical spectra of complex aggregates and crystals: Vibronic band structure and Davydov splitting
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Journal Articles

Novel rare-earth doped Cs2NaGdCl6:Sb3+ double perovskite nanocrystals toward good ability of color tuning with high quantum efficiency

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Mingjie Dan, Yi Yu, Xiurong Zhu, Yingying Wang, Zishan Li, Mei Lai, Huan Ye, Yixin Fu, Wang Zhao, Kenneth R. Poeppelmeier
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164702 (2025)
https://doi.org/10.1063/5.0265724
Published: April 2025
View article titled, Novel rare-earth doped Cs2NaGdCl6:Sb3+ double perovskite nanocrystals toward good ability of color tuning with high quantum efficiency
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Journal Articles

Quantum dynamics of coupled excitons and phonons in chain-like systems: Tensor train approaches and higher-order propagators

Open Access
Patrick Gelß, Sebastian Matera, Rupert Klein, Burkhard Schmidt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154115 (2025)
https://doi.org/10.1063/5.0258904
Published: April 2025
View article titled, Quantum dynamics of coupled excitons and phonons in chain-like systems: Tensor train approaches and higher-order propagators
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Journal Articles

Light–matter interaction at the nano- and molecular scale

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Kaifeng Wu, Chufeng Zhang, Xinfeng Liu, Shengye Jin, Akihiro Furube, Hirendra Ghosh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 140401 (2025)
https://doi.org/10.1063/5.0272446
Published: April 2025
View article titled, Light–matter interaction at the nano- and molecular scale
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Journal Articles

Enhancing the prediction of TADF emitter properties using Δ-machine learning: A hybrid semi-empirical and deep tensor neural network approach

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Nikhitha R., Anirban Mondal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144103 (2025)
https://doi.org/10.1063/5.0263384
Published: April 2025
View article titled, Enhancing the prediction of TADF emitter properties using Δ-machine learning: A hybrid semi-empirical and deep tensor neural network approach
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Journal Articles

Directional control of singlet exciton diffusion in crystalline polythiophene films

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Taiki Takeyama, Yasuhiro Murata, Yasunari Tamai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144704 (2025)
https://doi.org/10.1063/5.0245768
Published: April 2025
View article titled, Directional control of singlet exciton diffusion in crystalline polythiophene films
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Journal Articles

Scaling law of quantum confinement in single-walled carbon nanotubes

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Benjamin Eller, Charles W. Clark, YuHuang Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144303 (2025)
https://doi.org/10.1063/5.0245889
Published: April 2025
View article titled, Scaling law of quantum confinement in single-walled carbon nanotubes
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Journal Articles

Silicon quantum dot-molecule hybrid systems and their applications

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Kefu Wang, Ming Lee Tang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 140901 (2025)
https://doi.org/10.1063/5.0249392
Published: April 2025
View article titled, Silicon quantum dot-molecule hybrid systems and their applications
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Journal Articles

Nonlinear optical signatures of spin relaxation in 2D perovskites

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Shuyue Feng, Christopher J. Badalis, Camryn J. Gloor, Xiaowei Zhong, Zijian Gan, Wei You, Andrew M. Moran
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 134202 (2025)
https://doi.org/10.1063/5.0255426
Published: April 2025
View article titled, Nonlinear optical signatures of spin relaxation in 2D perovskites
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