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Mesoscience Lab
Research
Publications
Lab Members
Software
Research
Publications
Lab Members
Software
Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with O(1) scaling
2025, Preprint ScienceSites 4/22/25 2025, Preprint ScienceSites 4/22/25

Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with O(1) scaling

T. Gera, A. Hartzell, L. Chen, A. Eisfeld, and D.I.G.B. Raccah.
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MesoHOPS: Size-invariant scaling calculations of multi-excitation open quantum systems
2024 ScienceSites 10/7/24 2024 ScienceSites 10/7/24

MesoHOPS: Size-invariant scaling calculations of multi-excitation open quantum systems

B. Citty, J. K. Lynd, T. Gera, L. Varvelo, D. I. G. B. Raccah. J. Chem. Phys. 160, 144118 (2024)
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Simulating optical linear absorption for mesoscale molecular aggregates: an adaptive hierarchy of pure states approach
2023 ScienceSites 10/4/24 2023 ScienceSites 10/4/24

Simulating optical linear absorption for mesoscale molecular aggregates: an adaptive hierarchy of pure states approach

T. Gera, L. Chen, A. Eisfeld, J. R. Reimers, E. J. Taffet, D. I. G. B. Raccah. J. Phys. Chem. 158, 174103 (2023) (Featured article)
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Formally exact simulations of mesoscale exciton diffusion in a light-harvesting 2 antenna nanoarray
2023 ScienceSites 10/4/24 2023 ScienceSites 10/4/24

Formally exact simulations of mesoscale exciton diffusion in a light-harvesting 2 antenna nanoarray

L. Varvelo, J. K. Lynd, B. Citty, O. Kühn, D. I. G. B. Raccah. J. Phys. Chem. Lett. 14, 3077-3083 (2023)
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Calculating non-linear response functions for multi-dimensional electronic spectra using dyadic non-Markovian quantum state diffusion
2022 ScienceSites 10/4/24 2022 ScienceSites 10/4/24

Calculating non-linear response functions for multi-dimensional electronic spectra using dyadic non-Markovian quantum state diffusion

L. Chen, D. I. G. Bennett, A. Eisfeld. J. Chem. Phys. 157, 114104 (2022)
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Simulation of absorption spectra of molecular aggregates: A hierarchy of stochastic pure state approach
2022 ScienceSites 10/4/24 2022 ScienceSites 10/4/24

Simulation of absorption spectra of molecular aggregates: A hierarchy of stochastic pure state approach

L. Chen, D. I. G. Bennett, A. Eisfeld. J. Chem. Phys. 156, 124109 (2022)
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Molecular origins of induction and loss of photoinhibition-related energy dissipation qI
2021 ScienceSites 10/4/24 2021 ScienceSites 10/4/24

Molecular origins of induction and loss of photoinhibition-related energy dissipation qI

W. J. Nawrocki, X. Liu, B. Raber, C. Hu, C. de Vitry, D. I. G. Bennett, R. Croce. Sci. Adv. 7, eabj0055 (2021)
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Formally exact simulations of mesoscale exciton dynamics in molecular materials
2021 ScienceSites 10/4/24 2021 ScienceSites 10/4/24

Formally exact simulations of mesoscale exciton dynamics in molecular materials

L. Varvelo, J. K. Lynd, D. I. G. Bennett. Chem. Sci. 12, 9704-9711 (2021)
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Directed kinetic transition network model
2019 ScienceSites 10/4/24 2019 ScienceSites 10/4/24

Directed kinetic transition network model

H. Zhou, F. Wang, D. I. G. Bennett, P. Tao. J. Chem. Phys. 151, 144122 (2019)
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Generalized Kasha’s model: T-dependent spectroscopy reveals short-range structures of 2D excitonic systems
2019 ScienceSites 10/2/24 2019 ScienceSites 10/2/24

Generalized Kasha’s model: T-dependent spectroscopy reveals short-range structures of 2D excitonic systems

C. Chuang, D. I. G. Bennett, J. R. Caram, A. Aspuru-Guzik, M. G. Bawendi, J. Cao. Chem 5, 1-16 (2019)
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Models and mechanisms of rapidly reversible regulation of photosynthetic light harvesting
2019 ScienceSites 10/2/24 2019 ScienceSites 10/2/24

Models and mechanisms of rapidly reversible regulation of photosynthetic light harvesting

D. I. G. Bennett, K. Amartanth, S. Park, C. J. Steen, J. M. Morris, G. R. Fleming. Open Biology 9, 190043 (2019)
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Energy-dependent quenching adjusts the excitation diffusion length to regular photo light harvesting
2018 ScienceSites 10/2/24 2018 ScienceSites 10/2/24

Energy-dependent quenching adjusts the excitation diffusion length to regular photo light harvesting

D. I. G. Bennett, G. R. Fleming, K. Amaranth. PNAS 115, E9523 (2018)
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Mechanistic regimes of vibrionic transporting a heterodimer and the design principle of incoherent vibrionic transport in phycobiliproteins
2018 ScienceSites 10/2/24 2018 ScienceSites 10/2/24

Mechanistic regimes of vibrionic transporting a heterodimer and the design principle of incoherent vibrionic transport in phycobiliproteins

D. I. G. Bennett, P. Maly, C. Kreisbeck, R. van Grondelle, A. Aspuru-Guzik. J. Chem. Phys. Lett. 10, 2665 (2018)
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Photochemical control of exciton superradiance in light harvesting nanotubes
2018 ScienceSites 10/2/24 2018 ScienceSites 10/2/24

Photochemical control of exciton superradiance in light harvesting nanotubes

S. Doria, J. R. Caram, T. S. Sinclair, D. I. G. Bennett, C. Chuang, F. Freyria, C. P. Steiner, P. Foggi, K. Nelson, J. Cao, A. Aspuru-Guzik, S. Lloyd, M. G. Bawendi. ACS Nano 12, 4556 (2018)
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Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport
2018 ScienceSites 10/2/24 2018 ScienceSites 10/2/24

Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport

S. Blau, D. I. G. Bennett, C. Kreisbeck, G. Scholes, A. Aspuru-Guzik. PNAS 115, E3342 (2018)
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Multiscale model of light harvesting by photosystem II in plants
2016 ScienceSites 10/1/24 2016 ScienceSites 10/1/24

Multiscale model of light harvesting by photosystem II in plants

K. Amarnath, D. I. G. Bennett, A. Schneider, G. R. Fleming. PNAS 113, 1156 (2016)
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Long range energy transport in photosystem II
2016 ScienceSites 10/1/24 2016 ScienceSites 10/1/24

Long range energy transport in photosystem II

J. J .J. Roden, D. I. G. Bennett, K. B. Whaley. J. Chem. Phys. 144, 245101 (2016)
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A structure based model of energy transfer reveals the principles of light harvesting in photosystem II supercomplex
2013 ScienceSites 10/1/24 2013 ScienceSites 10/1/24

A structure based model of energy transfer reveals the principles of light harvesting in photosystem II supercomplex

D. I. G. Bennett, K. Amarnath, G. R. Fleming. JACS 135, 9164-9173 (2013)
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2012 ScienceSites 10/1/24 2012 ScienceSites 10/1/24

Depolarization of rotational angular momentum in CN+Ar collisions

S.J. McGurk, K. G. McKendrick, M. L. Costen, D.I.G Bennett, J. Kłos, MH Alexander, P. J. Dagdigian. J. Chem. Phys. 136, 164306 (2012)

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2011 ScienceSites 10/1/24 2011 ScienceSites 10/1/24

Mapping the spatial overlap of excitons in a photosynthetic complex via coherent nonlinear frequency generation

J. M. Dawlaty, D. I. G. Bennett, V. M. Huxter, G. R. Fleming. J. Chem. Phys. 135, 044201 (2011)

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Mesoscience Lab

PI: Doran I. G. B. Raccah
University of Texas at Austin
Department of Chemistry


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