Efficient implementation of atom-density representations F Musil, M Veit, A Goscinski, G Fraux, MJ Willatt, M Stricker, T Junge, ... The Journal of Chemical Physics 154 (11), 114109, 2021 | 51 | 2021 |
The role of feature space in atomistic learning A Goscinski, G Fraux, G Imbalzano, M Ceriotti Machine Learning: Science and Technology 2 (2), 025028, 2021 | 32 | 2021 |
Optimal radial basis for density-based atomic representations A Goscinski, F Musil, S Pozdnyakov, J Nigam, M Ceriotti The Journal of Chemical Physics 155 (10), 104106, 2021 | 23 | 2021 |
scikit-matter: A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science A Goscinski, VP Principe, G Fraux, S Kliavinek, BA Helfrecht, P Loche, ... Open Research Europe 3, 81, 2023 | 7 | 2023 |
The parallel Grover as dynamic system A Goscinski arXiv preprint arXiv:1808.03347, 2018 | | 2018 |