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Journal Articles

mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics

Weizhong Guan, Peng Bao, Jiawei Peng, Zhenggang Lan, Qiang Shi

J. Chem. Phys. 161, 122501 (2024)

https://doi.org/10.1063/5.0226214

Published: September 2024

View article titled, mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics

Journal Articles

Extended perturbative approach including Redfield and Förster limits for qualitative analysis of exciton dynamics in any photosynthetic light harvesting and reaction center

Akihiro Kimura

J. Chem. Phys. 161, 124102 (2024)

https://doi.org/10.1063/5.0227158

Published: September 2024

View article titled, Extended perturbative approach including Redfield and Förster limits for qualitative analysis of exciton dynamics in any photosynthetic light harvesting and reaction center

Journal Articles

Memory effects in the efficiency control of energy transfer under incoherent light excitation in noisy environments

Rajesh Dutta, Biman Bagchi

J. Chem. Phys. 160, 245101 (2024)

https://doi.org/10.1063/5.0209909

Published: June 2024

View article titled, Memory effects in the efficiency control of energy transfer under incoherent light excitation in noisy environments

Journal Articles

Unraveling the excited-state vibrational cooling dynamics of chlorophyll-a using femtosecond broadband fluorescence spectroscopy

Heyuan Liu, Meixia Ruan, Pengcheng Mao, Zhuan Wang, Hailong Chen, Yuxiang Weng

J. Chem. Phys. 160, 205101 (2024)

https://doi.org/10.1063/5.0203819

Published: May 2024

View article titled, Unraveling the excited-state vibrational cooling dynamics of chlorophyll-a using femtosecond broadband fluorescence spectroscopy

Journal Articles

Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex

Kwang Hyun Cho, Seogjoo J. Jang, Young Min Rhee

J. Chem. Phys. 160, 184104 (2024)

https://doi.org/10.1063/5.0206944

Published: May 2024

View article titled, Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex

Includes: Supplementary data

Journal Articles

Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems

Xiang Sun, Zengkui Liu

J. Chem. Phys. 160, 174113 (2024)

https://doi.org/10.1063/5.0203080

Published: May 2024

View article titled, Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems

Journal Articles

Time-dependent electron transfer and energy dissipation in condensed media

Elvis F. Arguelles, Osamu Sugino

J. Chem. Phys. 160, 144102 (2024)

https://doi.org/10.1063/5.0196143

Published: April 2024

View article titled, Time-dependent electron transfer and energy dissipation in condensed media

Journal Articles

Excitation energy transfer and vibronic relaxation through light-harvesting dendrimer building blocks: A nonadiabatic perspective

Joachim Galiana, Benjamin Lasorne

J. Chem. Phys. 160, 104104 (2024)

https://doi.org/10.1063/5.0193264

Published: March 2024

View article titled, Excitation energy transfer and vibronic relaxation through light-harvesting dendrimer building blocks: A nonadiabatic perspective

Includes: Supplementary data

Journal Articles

Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra

Thomas Sayer, Andrés Montoya-Castillo

J. Chem. Phys. 160, 044108 (2024)

https://doi.org/10.1063/5.0185578

Published: January 2024

View article titled, Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra

Journal Articles

First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

Piermarco Saraceno, Vladislav Sláma, Lorenzo Cupellini

J. Chem. Phys. 159, 184112 (2023)

https://doi.org/10.1063/5.0170295

Published: November 2023

View article titled, First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

Includes: Supplementary data

Journal Articles

Breakdown of dipole Born approximation and the role of Rydberg’s predissociation for the electron-induced ion-pair dissociation to oxygen in the presence of background gases

Narayan Kundu, Vikrant Kumar, Dhananjay Nandi

J. Chem. Phys. 158, 154305 (2023)

https://doi.org/10.1063/5.0141973

Published: April 2023

View article titled, Breakdown of dipole Born approximation and the role of Rydberg’s predissociation for the electron-induced ion-pair dissociation to oxygen in the presence of background gases

Journal Articles

An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method

Kai Zhong, Hoang Long Nguyen, Thanh Nhut Do, Howe-Siang Tan, Jasper Knoester, Thomas L. C. Jansen

J. Chem. Phys. 158, 064103 (2023)

https://doi.org/10.1063/5.0136652

Published: February 2023

View article titled, An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method

Journal Articles

Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube

Rui-Fang Xie, Jing-Bin Zhang, Yang Wu, Laicai Li, Xiang-Yang Liu, Ganglong Cui

J. Chem. Phys. 158, 054108 (2023)

https://doi.org/10.1063/5.0134353

Published: February 2023

View article titled, Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube

Includes: Supplementary data

Journal Articles

An efficient protocol for excited states of large biochromophores

Oliver Feighan, Frederick R. Manby, Susannah Bourne-Worster

J. Chem. Phys. 158, 024107 (2023)

https://doi.org/10.1063/5.0132417

Published: January 2023

View article titled, An efficient protocol for excited states of large biochromophores

Includes: Supplementary data

Journal Articles

Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. II. Polariton-mediated population dynamics in a dimer system

Yi-Ting Chuang, Siwei Wang, Liang-Yan Hsu

J. Chem. Phys. 157, 234109 (2022)

https://doi.org/10.1063/5.0124843

Published: December 2022

View article titled, Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. II. Polariton-mediated population dynamics in a dimer system

Journal Articles

Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. I. Formalism

Siwei Wang, Yi-Ting Chuang, Liang-Yan Hsu

J. Chem. Phys. 157, 184107 (2022)

https://doi.org/10.1063/5.0106828

Published: November 2022

View article titled, Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. I. Formalism

Journal Articles

Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach

Thomas P. Fay, David T. Limmer

J. Chem. Phys. 157, 174104 (2022)

https://doi.org/10.1063/5.0117659

Published: November 2022

View article titled, Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach

Journal Articles

Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Eduarda Sangiogo Gil, Maurizio Persico, Giovanni Granucci

J. Chem. Phys. 157, 161101 (2022)

https://doi.org/10.1063/5.0122109

Published: October 2022

View article titled, Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Includes: Supplementary data

Journal Articles

Coherent excitation energy transfer in model photosynthetic reaction center: Effects of non-Markovian quantum environment

Jie Fang, Zi-Hao Chen, Yu Su, Zi-Fan Zhu, Yao Wang, Rui-Xue Xu, YiJing Yan

J. Chem. Phys. 157, 084119 (2022)

https://doi.org/10.1063/5.0104641

Published: August 2022

View article titled, Coherent excitation energy transfer in model photosynthetic reaction center: Effects of non-Markovian quantum environment

Journal Articles

Bose enhancement of excitation-energy transfer with molecular-exciton-polariton condensates

Nguyen Thanh Phuc

J. Chem. Phys. 156, 234301 (2022)

https://doi.org/10.1063/5.0090463

Published: June 2022

View article titled, Bose enhancement of excitation-energy transfer with molecular-exciton-polariton condensates

NARROW

Topics

mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics

Extended perturbative approach including Redfield and Förster limits for qualitative analysis of exciton dynamics in any photosynthetic light harvesting and reaction center

Memory effects in the efficiency control of energy transfer under incoherent light excitation in noisy environments

Unraveling the excited-state vibrational cooling dynamics of chlorophyll-a using femtosecond broadband fluorescence spectroscopy

Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex

Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems

Time-dependent electron transfer and energy dissipation in condensed media

Excitation energy transfer and vibronic relaxation through light-harvesting dendrimer building blocks: A nonadiabatic perspective

Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra

First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

Breakdown of dipole Born approximation and the role of Rydberg’s predissociation for the electron-induced ion-pair dissociation to oxygen in the presence of background gases

An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method

Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube

An efficient protocol for excited states of large biochromophores

Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. II. Polariton-mediated population dynamics in a dimer system

Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. I. Formalism

Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach

Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Coherent excitation energy transfer in model photosynthetic reaction center: Effects of non-Markovian quantum environment

Bose enhancement of excitation-energy transfer with molecular-exciton-polariton condensates

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