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Ultrafast Charge Separation in Organic Photovoltaics Enhanced by Charge Delocalization and Vibronically Hot Exciton Dissociation

Journal of the American Chemical Society, 2013-11, Vol.135 (44), p.16364-16367

2013

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Coherent Charge Transfer Exciton Formation in Regioregular P3HT: A Quantum Dynamical Study

The journal of physical chemistry letters, 2019-06, Vol.10 (12), p.3326-3332

2019

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Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

Nature communications, 2018-10, Vol.9 (1), p.4502-8, Article 4502

2018

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Potential Barrier and Excess Energy for Electron–Hole Separation from the Charge-Transfer Exciton at Donor–Acceptor Heterojunctions of Organic Solar Cells

Journal of physical chemistry. C, 2013-07, Vol.117 (29), p.15020-15025

2013

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Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction

The Journal of chemical physics, 2012-12, Vol.137 (22), p.22A540-22A540

2012

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Quantum dynamical studies of ultrafast charge separation in nanostructured organic polymer materials: Effects of vibronic interactions and molecular packing

International journal of quantum chemistry, 2018-01, Vol.118 (1), p.n/a

2018

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Exciton Dissociation at Thiophene/Fullerene Interfaces: The Electronic Structures and Quantum Dynamics

Journal of physical chemistry. C, 2011-05, Vol.115 (20), p.10205-10210

2011

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Concurrent Effects of Delocalization and Internal Conversion Tune Charge Separation at Regioregular Polythiophene–Fullerene Heterojunctions

The journal of physical chemistry letters, 2015-05, Vol.6 (9), p.1702-1708

2015

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Quantum dynamical simulations of intra-chain exciton diffusion in an oligo (para-phenylene vinylene) chain at finite temperature

The Journal of chemical physics, 2020-11, Vol.153 (18), p.184107-184107

2020

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Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation

Science (American Association for the Advancement of Science), 2015-10, Vol.350 (6259), p.445-450

2015

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Ultrafast CSpiro–O Dissociation via a Conical Intersection Drives Spiropyran to Merocyanine Photoswitching

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-02, Vol.118 (8), p.1339-1349

2014

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Ultrafast Dynamics at the Nanoscale: Biomolecules and Supramolecular Assemblies

1st edition., 2017

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Vibronic coupling models for donor-acceptor aggregates using an effective-mode scheme: Application to mixed Frenkel and charge-transfer excitons in oligothiophene aggregates

The Journal of chemical physics, 2019-06, Vol.150 (24), p.244114-244114

2019

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Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. I. Application to single surface dynamics

The Journal of chemical physics, 2009-07, Vol.131 (2), p.024109-024109-13

2009

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Ultrafast exciton migration in an HJ-aggregate: Potential surfaces and quantum dynamics

Chemical physics, 2017-01, Vol.482, p.16-26

2017

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Molecular Dynamics Study of the Controlled Destabilization of an RNA Hairpin Structure by a Covalently Attached Azobenzene Switch

The journal of physical chemistry. B, 2014-07, Vol.118 (29), p.8478-8488

2014

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Quantum dynamics of hydrogen atoms on graphene. II. Sticking

The Journal of chemical physics, 2015-09, Vol.143 (12), p.124704-124704

2015

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Molecular Packing Determines Charge Separation in a Liquid Crystalline Bisthiophene–Perylene Diimide Donor–Acceptor Material

The journal of physical chemistry letters, 2016-04, Vol.7 (7), p.1327-1334

2016

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A New Photocage Derived from Fluorene

Chemistry : a European journal, 2018-09, Vol.24 (49), p.13026-13035

2018

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Quantum Dynamics with Electronic Friction

Physical review letters, 2022-05, Vol.128 (20), p.206002-206002, Article 206002

2022

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An analytic mapping of oligomer potential energy surfaces to an effective Frenkel model

The Journal of chemical physics, 2014-07, Vol.141 (1), p.014101-014101

2014

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Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables

The Journal of chemical physics, 2008-08, Vol.129 (8), p.084104-084104

2008

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Effective-mode representation of non-Markovian dynamics: a hierarchical approximation of the spectral density. II. Application to environment-induced nonadiabatic dynamics

The Journal of chemical physics, 2009-09, Vol.131 (12), p.124108-124108

2009

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Local-in-Time Error in Variational Quantum Dynamics

Physical review letters, 2020-04, Vol.124 (15), p.150601-150601, Article 150601

2020

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Dynamics of coupled Bohmian and phase-space variables: a moment approach to mixed quantum-classical dynamics

The Journal of chemical physics, 2005-03, Vol.122 (9), p.094103-094103

Burghardt, Irene

2005

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Ultrafast Charge Separation in Organic Photovoltaics Enhanced by Charge Delocalization and Vibronically Hot Exciton Dissociation

Coherent Charge Transfer Exciton Formation in Regioregular P3HT: A Quantum Dynamical Study

Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

Potential Barrier and Excess Energy for Electron–Hole Separation from the Charge-Transfer Exciton at Donor–Acceptor Heterojunctions of Organic Solar Cells

Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction

Quantum dynamical studies of ultrafast charge separation in nanostructured organic polymer materials: Effects of vibronic interactions and molecular packing

Exciton Dissociation at Thiophene/Fullerene Interfaces: The Electronic Structures and Quantum Dynamics

Concurrent Effects of Delocalization and Internal Conversion Tune Charge Separation at Regioregular Polythiophene–Fullerene Heterojunctions

Quantum dynamical simulations of intra-chain exciton diffusion in an oligo (para-phenylene vinylene) chain at finite temperature

Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation

Ultrafast CSpiro–O Dissociation via a Conical Intersection Drives Spiropyran to Merocyanine Photoswitching

Ultrafast Dynamics at the Nanoscale: Biomolecules and Supramolecular Assemblies

Vibronic coupling models for donor-acceptor aggregates using an effective-mode scheme: Application to mixed Frenkel and charge-transfer excitons in oligothiophene aggregates

Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. I. Application to single surface dynamics

Ultrafast exciton migration in an HJ-aggregate: Potential surfaces and quantum dynamics

Molecular Dynamics Study of the Controlled Destabilization of an RNA Hairpin Structure by a Covalently Attached Azobenzene Switch

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

Molecular Packing Determines Charge Separation in a Liquid Crystalline Bisthiophene–Perylene Diimide Donor–Acceptor Material

A New Photocage Derived from Fluorene

Quantum Dynamics with Electronic Friction

An analytic mapping of oligomer potential energy surfaces to an effective Frenkel model

Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables

Effective-mode representation of non-Markovian dynamics: a hierarchical approximation of the spectral density. II. Application to environment-induced nonadiabatic dynamics

Local-in-Time Error in Variational Quantum Dynamics

Dynamics of coupled Bohmian and phase-space variables: a moment approach to mixed quantum-classical dynamics

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