@article{langer2022reps,
    author = "Langer, Marcel F. and Goe{\ss}mann, Alex and Rupp, Matthias",
    title = "Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning",
    volume = "8",
    number = "41",
    year = "2022",
    journal = "npj Computational Materials",
    doi = "10.1038/s41524-022-00721-x"
}