| Effects of perturbation order and basis set on alchemical predictions G Domenichini, GF von Rudorff, OA von Lilienfeld The Journal of chemical physics 153 (14), 2020 | 16 | 2020 |
| Role of Gln222 in Photoswitching of Aequorea Fluorescent Proteins: A Twisting and H-Bonding Affair? B Storti, E Margheritis, G Abbandonato, G Domenichini, J Dreier, I Testa, ... ACS chemical biology 13 (8), 2082-2093, 2018 | 13 | 2018 |
| Alchemical geometry relaxation G Domenichini, OA von Lilienfeld The Journal of Chemical Physics 156 (18), 2022 | 7 | 2022 |
| Even order contributions to relative energies vanish for antisymmetric perturbations OA von Lilienfeld, G Domenichini arXiv preprint arXiv:2306.16409, 2023 | 1 | 2023 |
| Extending the definition of atomic basis sets to atoms with fractional nuclear charge G Domenichini arXiv preprint arXiv:2401.03285, 2024 | | 2024 |
| Molecular Hessian matrices from a machine learning random forest regression algorithm G Domenichini, C Dellago The Journal of Chemical Physics 159 (19), 2023 | | 2023 |
| Even order contributions to relative energies vanish for antisymmetric perturbations O Anatole von Lilienfeld, G Domenichini arXiv e-prints, arXiv: 2306.16409, 2023 | | 2023 |
O. Anatole von LilienfeldClark & CIFAR AI chair at University of Toronto/Vector Institute/Technical University BerlinBestätigte E-Mail-Adresse bei utoronto.ca
