| 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 | 717 | 2017 |
| 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 | 306 | 2016 |
| 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 | 241 | 2015 |
| 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 | 203 | 2016 |
| 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 | 167 | 2013 |
| 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 | 129 | 2019 |
| 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 | 129 | 2012 |
| 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 | 128 | 2015 |
| 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 | 124 | 2013 |
| 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 | 82 | 2014 |
| Stochastic modeling of molecular charge transport networks B Baumeier, O Stenzel, C Poelking, D Andrienko, V Schmidt Physical Review B 86 (18), 184202, 2012 | 73 | 2012 |
| 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 | 71 | 2013 |
| 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 | 68 | 2021 |
| 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 | 61 | 2016 |
| 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 | 49 | 2015 |
| 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 | 31 | 2017 |
| 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 | 13 | 2011 |
| 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 | 11 | 2022 |
| 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 | 10 | 2022 |
| 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 | 5 | 2022 |
