Publications

University of Texas at Austin Publications

2025

Featured
Characterizing the Role of Peierls Vibrations in Singlet Fission with the Adaptive Hierarchy of Pure States
Characterizing the Role of Peierls Vibrations in Singlet Fission with the Adaptive Hierarchy of Pure States

J. Lynd, D. I. G. B. Raccah, J. Phys. Chem. Lett. 16, 28, 7273–7279 (2025).
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Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with O(1) scaling
Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with O(1) scaling

T. Gera, A. Hartzell,  L. Chen,  A. Eisfeld, D. I. G. B. Raccah, J. Chem. Phys. 162, 234111 (2025)
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2024

Featured
MesoHOPS: Size-invariant scaling calculations of multi-excitation open quantum systems
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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Southern Methodist University Publications

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

Formally exact simulations of mesoscale exciton diffusion in a light-harvesting 2 antenna nanoarray
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
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
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
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
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
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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Pre Southern Methodist University Publications

Featured
Generalized Kasha’s model: T-dependent spectroscopy reveals short-range structures of 2D excitonic systems
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
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
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
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
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
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
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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A structure based model of energy transfer reveals the principles of light harvesting in photosystem II supercomplex
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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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)

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)

Experimental and theoretical study of rotationally inelastic collisions of CN with N2

A. Khachatrian, P. J. Dagdigian, D. I. G. Bennett, F. Lique, J. Klos, M. H. Alexander. J. Phys. Chem. A 113, 3922 (2009)

The Na(+)–H2 cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations

B. L. J. Poad, P. J. Wearne, E. J. Bieske, A. A. Buchachenko,  D. I. G. Bennett, J. Klos, M. H. Alexander. J. Chem. Phys. 129, 184306 (2008)

Comparing electronic structure predictions for the ground state dissociation of the vinoxy radical

D.I.G. Bennett, L. J. Butler, H.-J. Werner. J. Chem. Phys. 127, 094309 (2007)

Characterization of the methoxy carbonyl radical formed via photolysis of methyl chloroformate at 193 nm

M. J. Bell, K.-C. Lau, M. J. Krisch, D.I.G. Bennett, L. J. Butler, F. Weinhold. J. Phys. Chem. A 111, 1762 (2007)

Photodissociation of propargyl chloride at 193 nm

L. R. McCunn, D.I.G. Bennett, L. J. Butler, H. Fan, F. Aguirre, and S. T. Pratt. J. Phys. Chem. A 110, 843 (2006)