diff --git a/_pages/research.md b/_pages/research.md index 893a2d8..c3876c8 100644 --- a/_pages/research.md +++ b/_pages/research.md @@ -16,7 +16,7 @@ Our research is organized around two complementary themes: (i) materials discove - Inverse design and generative models (e.g., [evaluation of generative models](https://doi.org/10.1088/2515-7639/ae869a)) - Synthesis prediction (e.g., via [co-training and PU learning](https://doi.org/10.1039/D4DD00394B)) - Property forecasting (e.g., for [thermal conductivity via chemical bonding concepts](https://doi.org/10.1002/aidi.70129)) -- Chemical heuristics and materials descriptors (e.g., for [bond angle-based features for magnetic predictions](https://doi.org/10.26434/chemrxiv-2025-xj84d/v3)) +- Chemical heuristics and materials descriptors (e.g., for [bond angle-based features for magnetic predictions](https://doi.org/10.26434/chemrxiv-2025-xj84d/v3) or for [bonding-based features for thermal conductivity prediction](https://doi.org/10.1002/aidi.70129)) - Automated bonding analysis (e.g., as part of [LobsterPy](https://doi.org/10.21105/joss.06286) and [atomate2](https://doi.org/10.1039/D5DD00019J)) - High-throughput calculations and data generation (e.g., for [our bonding analysis database](https://doi.org/10.1038/s41597-023-02477-5)) - Pre-trained and foundation models for materials discovery (e.g., as part of [MACE-MP-0](https://doi.org/10.1063/5.0297006)) @@ -35,7 +35,7 @@ Our research is organized around two complementary themes: (i) materials discove #### Open-Source Software and Research Infrastructures -- Major contributors to the materials analysis [Pymatgen](https://github.com/materialsproject/pymatgen) +- Major contributors to the materials analysis software [Pymatgen](https://github.com/materialsproject/pymatgen) - Maintenance and development of the workflow library [Atomate2](https://github.com/materialsproject/atomate2) - Maintenance and joint development of software [autoplex](https://github.com/autoatml/autoplex) for automated training of machine learning interatomic potentials (joint development with the group of [Prof. Volker Deringer](https://www.chem.ox.ac.uk/people/volker-deringer) at the University of Oxford) - Development of [LobsterPy](https://github.com/JaGeo/LobsterPy) for automated bond analysis