| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 16 | 2023 |
| Thermally averaged magnetic anisotropy tensors via machine learning based on Gaussian moments V Zaverkin, J Netz, F Zills, A Köhn, J Kästner Journal of Chemical Theory and Computation 18 (1), 1-12, 2021 | 15 | 2021 |
| MDSuite: comprehensive post-processing tool for particle simulations S Tovey, F Zills, F Torres-Herrador, C Lohrmann, M Brückner, C Holm Journal of Cheminformatics 15 (1), 19, 2023 | 4 | 2023 |
| Zero shot molecular generation via similarity kernels R Elijošius, F Zills, I Batatia, SW Norwood, DP Kovács, C Holm, G Csányi arXiv preprint arXiv:2402.08708, 2024 | 3 | 2024 |
| ZnTrack--Data as Code F Zills, M Schäfer, S Tovey, J Kästner, C Holm arXiv preprint arXiv:2401.10603, 2024 | 2 | 2024 |
| Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly F Zills, MR Schäfer, N Segreto, J Kästner, C Holm, S Tovey The Journal of Physical Chemistry B, 2024 | | 2024 |
| Machine Learning-Driven Investigation of the Structure and Dynamics of the BMIM-BF₄ Room Temperature Ionic Liquid F Zills, MR Schäfer, S Tovey, J Kästner, C Holm Faraday Discussions, 2024 | | 2024 |
| MDSuite: A post-processing engine for particle simulations. S Tovey, C Holm, F Zills, F Torres-Herrador APS March Meeting Abstracts 2022, M48. 006, 2022 | | 2022 |
