| First-principles calculations of hybrid inorganic–organic interfaces: from state-of-the-art to best practice OT Hofmann, E Zojer, L Hörmann, A Jeindl, RJ Maurer Physical Chemistry Chemical Physics 23 (14), 8132-8180, 2021 | 55 | 2021 |
| Charge Transfer into Organic Thin Films: A Deeper Insight through Machine‐Learning‐Assisted Structure Search AT Egger, L Hörmann, A Jeindl, M Scherbela, V Obersteiner, M Todorović, ... Advanced Science 7 (15), 2000992, 2020 | 36 | 2020 |
| SAMPLE: Surface structure search enabled by coarse graining and statistical learning L Hörmann, A Jeindl, AT Egger, M Scherbela, OT Hofmann Computer Physics Communications 244, 143-155, 2019 | 35 | 2019 |
| Structure prediction for surface-induced phases of organic monolayers: overcoming the combinatorial bottleneck V Obersteiner, M Scherbela, L Hörmann, D Wegner, OT Hofmann Nano Letters 17 (7), 4453-4460, 2017 | 35 | 2017 |
| Nonintuitive surface self-assembly of functionalized molecules on Ag (111) A Jeindl, J Domke, L Hörmann, F Sojka, R Forker, T Fritz, OT Hofmann ACS nano 15 (4), 6723-6734, 2021 | 26 | 2021 |
| Charting the energy landscape of metal/organic interfaces via machine learning M Scherbela, L Hörmann, A Jeindl, V Obersteiner, OT Hofmann Physical Review Materials 2 (4), 043803, 2018 | 23 | 2018 |
| Reproducibility of potential energy surfaces of organic/metal interfaces on the example of PTCDA on Ag (111) L Hörmann, A Jeindl, OT Hofmann The Journal of Chemical Physics 153 (10), 2020 | 13 | 2020 |
| Impact of surface defects on the charge transfer at inorganic/organic interfaces E Wruss, L Hörmann, OT Hofmann The Journal of Physical Chemistry C 123 (12), 7118-7124, 2019 | 7 | 2019 |
| How much does surface polymorphism influence the work function of organic/metal interfaces? A Jeindl, L Hörmann, OT Hofmann Applied Surface Science 575, 151687, 2022 | 5 | 2022 |
| Toward Targeted Kinetic Trapping of Organic–Inorganic Interfaces: A Computational Case Study A Werkovits, A Jeindl, L Hörmann, JJ Cartus, OT Hofmann ACS Physical Chemistry Au 2 (1), 38-46, 2021 | 5 | 2021 |
| Role of Adatoms for the Adsorption of F4TCNQ on Au (111) RK Berger, A Jeindl, L Hörmann, OT Hofmann The Journal of Physical Chemistry C 126 (17), 7718-7727, 2022 | 3 | 2022 |
| Impact of static distortion waves on superlubricity L Hörmann, JJ Cartus, OT Hofmann ACS omega 8 (45), 42457-42466, 2023 | 2 | 2023 |
| Polymorphism mediated by electric fields: a first principles study on organic/inorganic interfaces JJ Cartus, A Jeindl, A Werkovits, L Hörmann, OT Hofmann Nanoscale Advances 5 (8), 2288-2298, 2023 | 2 | 2023 |
| From a bistable adsorbate to a switchable interface: tetrachloropyrazine on Pt (111) L Hörmann, A Jeindl, OT Hofmann Nanoscale 14 (13), 5154-5162, 2022 | 2 | 2022 |
| Exploring in-plane interactions beside an adsorbed molecule with lateral force microscopy S Nam, E Riegel, L Hörmann, OT Hofmann, O Gretz, AJ Weymouth, ... Proceedings of the National Academy of Sciences 121 (2), e2311059120, 2024 | 1 | 2024 |
| Interfacial charge transfer influences thin-film polymorphism F Calcinelli, A Jeindl, L Hörmann, S Ghan, H Oberhofer, OT Hofmann The Journal of Physical Chemistry C 126 (5), 2868-2876, 2022 | 1 | 2022 |