news
| Aug 31, 2025 | New preprint on magnetism heuristics in machine learning We have published a preprint on magnetism heuristics in machine learning of magnetic properties. We show that bond angles are indeed important for magnetic properties. Please take a look at the preprint here: https://doi.org/10.26434/chemrxiv-2025-xj84d |
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| Aug 31, 2025 | Janine gave a talk in the FAIRMAT seminar series. Janine gave a talk in the FAIRMAT seminar series covering automated DFT, heuristics, and machine learning approaches: https://www.youtube.com/watch?v=Sfco48s1fpU |
| Aug 24, 2025 | New publication on automated training of ML interatomic potentials We have published a paper on our code autoplex together with Volker Deringer’s group at the University of Oxford. Please find the publication here: https://doi.org/10.1038/s41467-025-62510-6 |