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Carl Poelking
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Machine learning unifies the modeling of materials and molecules
AP Bartók, S De, C Poelking, N Bernstein, JR Kermode, G Csányi, ...
Science advances 3 (12), e1701816, 2017
6722017
Band structure engineering in organic semiconductors
M Schwarze, W Tress, B Beyer, F Gao, R Scholz, C Poelking, K Ortstein, ...
Science 352 (6292), 1446-1449, 2016
2942016
Impact of mesoscale order on open-circuit voltage in organic solar cells
C Poelking, M Tietze, C Elschner, S Olthof, D Hertel, B Baumeier, ...
Nature materials 14 (4), 434-439, 2015
2302015
Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics
G D’Avino, L Muccioli, F Castet, C Poelking, D Andrienko, ZG Soos, ...
Journal of Physics: Condensed Matter 28 (43), 433002, 2016
1902016
Effect of Polymorphism, Regioregularity and Paracrystallinity on Charge Transport in Poly (3-hexylthiophene)[P3HT] Nanofibers
C Poelking, D Andrienko
Macromolecules 46 (22), 8941-8956, 2013
1662013
Merocyanine/C60 planar heterojunction solar cells: effect of dye orientation on exciton dissociation and solar cell performance
A Ojala, A Petersen, A Fuchs, R Lovrincic, C Pölking, J Trollmann, ...
Advanced Functional Materials 22 (1), 86-96, 2012
1262012
Design Rules for Organic Donor–Acceptor Heterojunctions: Pathway for Charge Splitting and Detrapping
C Poelking, D Andrienko
Journal of the American Chemical Society 137 (19), 6320-6326, 2015
1232015
Characterization of charge-carrier transport in semicrystalline polymers: electronic couplings, site energies, and charge-carrier dynamics in poly (bithiophene-alt …
C Poelking, E Cho, A Malafeev, V Ivanov, K Kremer, C Risko, JL Brédas, ...
The Journal of Physical Chemistry C 117 (4), 1633-1640, 2013
1212013
Impact of molecular quadrupole moments on the energy levels at organic heterojunctions
M Schwarze, KS Schellhammer, K Ortstein, J Benduhn, C Gaul, ...
Nature communications 10 (1), 2466, 2019
1192019
Morphology and charge transport in P3HT: A theorist’s perspective
C Poelking, K Daoulas, A Troisi, D Andrienko
P3HT Revisited–From Molecular Scale to Solar Cell Devices, 139-180, 2014
802014
Stochastic modeling of molecular charge transport networks
B Baumeier, O Stenzel, C Poelking, D Andrienko, V Schmidt
Physical Review B 86 (18), 184202, 2012
722012
Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors
P Gemünden, C Poelking, K Kremer, D Andrienko, KC Daoulas
Macromolecules 46 (14), 5762-5774, 2013
702013
Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells
A Markina, KH Lin, W Liu, C Poelking, Y Firdaus, DR Villalva, JI Khan, ...
Advanced Energy Materials 11 (44), 2102363, 2021
622021
Long-range embedding of molecular ions and excitations in a polarizable molecular environment
C Poelking, D Andrienko
Journal of Chemical Theory and Computation 12 (9), 4516-4523, 2016
572016
Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors
P Gemünden, C Poelking, K Kremer, K Daoulas, D Andrienko
Macromolecular rapid communications 36 (11), 1047-1053, 2015
482015
Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films
F Steiner, C Poelking, D Niedzialek, D Andrienko, J Nelson
Physical Chemistry Chemical Physics 19 (17), 10854-10862, 2017
312017
Luminescent and geometric concentrators for building integrated photovoltaics
AJ Chatten, DJ Farrell, R Bose, A Dixon, C Poelking, KC Gödel, M Mazzer, ...
2011 37th IEEE Photovoltaic Specialists Conference, 000852-000857, 2011
132011
A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design
L Chan, R Kumar, M Verdonk, C Poelking
Nature Machine Intelligence, 1-13, 2022
92022
Open-circuit voltage of organic solar cells: interfacial roughness makes the difference
C Poelking, J Benduhn, D Spoltore, M Schwarze, S Roland, F Piersimoni, ...
Communications Physics 5 (1), 1-7, 2022
62022
Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns
C Poelking, G Chessari, CW Murray, RJ Hall, L Colwell, M Verdonk
arXiv preprint arXiv:2204.06348, 2022
52022
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