| Phosphonate chelators for medicinal metal ions TI Kostelnik, H Scheiber, R Cappai, N Choudhary, F Lindheimer, ... Inorganic Chemistry 60 (7), 5343-5361, 2021 | 17 | 2021 |
| Contribution of the covalent component of the hydrogen-bond network to the properties of liquid water Y Shi, H Scheiber, RZ Khaliullin The Journal of Physical Chemistry A 122 (37), 7482-7490, 2018 | 10 | 2018 |
| H4HBEDpa: Octadentate Chelate after A. E. Martell N Choudhary, H Scheiber, J Zhang, BO Patrick, ... Inorganic Chemistry 60 (17), 12855-12869, 2021 | 8 | 2021 |
| Communication: Compact orbitals enable low-cost linear-scaling ab initio molecular dynamics for weakly-interacting systems H Scheiber, Y Shi, RZ Khaliullin The Journal of Chemical Physics 148 (23), 2018 | 8 | 2018 |
| Analysis of the relative stability of lithium halide crystal structures: Density functional theory and classical models HO Scheiber, GN Patey The Journal of Chemical Physics 154 (18), 2021 | 3 | 2021 |
| Binary salt structure classification with convolutional neural networks: Application to crystal nucleation and melting point calculations HO Scheiber, GN Patey The Journal of Chemical Physics 157 (20), 2022 | 1 | 2022 |
| Low-cost orbital-based linear-scaling\emph {ab initio} molecular dynamics for weakly-interacting systems H Scheiber, Y Shi, RZ Khaliullin arXiv preprint arXiv:1803.04536, 2018 | | 2018 |
