HE26

HE26 is a first-principles heavy-element dataset including eight rarely covered heavy elements: Am, Cm, Cf, Fr, At, Ra, Po, and Rn. It provides data for elemental solids, oxides, multicomponent compounds, and complex fluorite oxides to support machine learning interatomic potential development and nuclear materials research. If you use any of these datasets, please cite the following papers. ``` @misc{kuroda2026expandinguniversalmachinelearning,title={Expanding Universal Machine Learning Interatomic Potentials to 97 Elements Towards Nuclear Applications},author={Naoya Kuroda and Kenji Ishihara and Tomoya Shiota and Wataru Mizukami},year={2026},eprint={2603.03223},archivePrefix={arXiv},primaryClass={physics.chem-ph},url={https://arxiv.org/abs/2603.03223},} ```