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Design Rules for Organic Donor–Acceptor Heterojunctions: Pathway for Charge Splitting and Detrapping

Journal of the American Chemical Society, 2015-05, Vol.137 (19), p.6320-6326

2015

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Effect of Polymorphism, Regioregularity and Paracrystallinity on Charge Transport in Poly(3-hexylthiophene) [P3HT] Nanofibers

Macromolecules, 2013-11, Vol.46 (22), p.8941-8956

2013

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Long-Range Embedding of Molecular Ions and Excitations in a Polarizable Molecular Environment

Journal of chemical theory and computation, 2016-09, Vol.12 (9), p.4516-4523

2016

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Impact of molecular quadrupole moments on the energy levels at organic heterojunctions

Nature communications, 2019-06, Vol.10 (1), p.2466-2466, Article 2466

2019

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Band structure engineering in organic semiconductors

Science (American Association for the Advancement of Science), 2016-06, Vol.352 (6292), p.1446-1449

2016

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Machine learning unifies the modeling of materials and molecules

Science advances, 2017-12, Vol.3 (12), p.e1701816-e1701816

2017

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Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Journal of physics. Condensed matter, 2016-11, Vol.28 (43), p.433002-433002

2016

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Impact of mesoscale order on open-circuit voltage in organic solar cells

Nature materials, 2015-04, Vol.14 (4), p.434-439

2015

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Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells

Advanced energy materials, 2021-11, Vol.11 (44)

2021

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The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors

Poelking, Carl. R

1st ed. 2018 edition., 2017

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Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]

Journal of physical chemistry. C, 2013-01, Vol.117 (4), p.1633-1640

2013

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Open-circuit voltage of organic solar cells: interfacial roughness makes the difference

Communications physics, 2022-11, Vol.5 (1), p.1-7, Article 307

2022

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Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films

Physical chemistry chemical physics : PCCP, 2017-05, Vol.19 (17), p.10854-10862

2017

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Stochastic modeling of molecular charge transport networks

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (18), Article 184202

2012

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Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors

Macromolecules, 2013-07, Vol.46 (14), p.5762-5774

2013

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Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors

Macromolecular rapid communications., 2015-06, Vol.36 (11), p.1047-1053

2015

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A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design

Nature machine intelligence, 2022-12, Vol.4 (12), p.1130-1142

2022

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BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale

Machine learning: science and technology, 2022-12, Vol.3 (4), p.40501

2022

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Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin filmsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06436a

2017-05

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Morphology and Charge Transport in P3HT: A Theorist’s Perspective

P3HT Revisited – From Molecular Scale to Solar Cell Devices, 2014, p.139-180

2014

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CESPED: A benchmark for supervised particle pose estimation in cryo-EM

Physical review research, 2024-06, Vol.6 (2), Article 023245

2024

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Merocyanine/C60 Planar Heterojunction Solar Cells: Effect of Dye Orientation on Exciton Dissociation and Solar Cell Performance

Advanced functional materials, 2012-01, Vol.22 (1), p.86-96

2012

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Macromol. Rapid Commun. 11/2015

Macromolecular rapid communications., 2015-06, Vol.36 (11), p.1140-1140

2015

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Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells (Adv. Energy Mater. 44/2021)

Advanced energy materials, 2021-11, Vol.11 (44)

2021

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Charge Transfer States at Donor--Acceptor Heterojunctions

The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors, 2017, p.105-125

Poelking, Carl. R

2017

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Design Rules for Organic Donor–Acceptor Heterojunctions: Pathway for Charge Splitting and Detrapping

Effect of Polymorphism, Regioregularity and Paracrystallinity on Charge Transport in Poly(3-hexylthiophene) [P3HT] Nanofibers

Long-Range Embedding of Molecular Ions and Excitations in a Polarizable Molecular Environment

Impact of molecular quadrupole moments on the energy levels at organic heterojunctions

Band structure engineering in organic semiconductors

Machine learning unifies the modeling of materials and molecules

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Impact of mesoscale order on open-circuit voltage in organic solar cells

Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells

The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors

Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]

Open-circuit voltage of organic solar cells: interfacial roughness makes the difference

Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films

Stochastic modeling of molecular charge transport networks

Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors

Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors

A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design

BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale

Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin filmsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06436a

Morphology and Charge Transport in P3HT: A Theorist’s Perspective

CESPED: A benchmark for supervised particle pose estimation in cryo-EM

Merocyanine/C60 Planar Heterojunction Solar Cells: Effect of Dye Orientation on Exciton Dissociation and Solar Cell Performance

Macromol. Rapid Commun. 11/2015

Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells (Adv. Energy Mater. 44/2021)

Charge Transfer States at Donor--Acceptor Heterojunctions

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