| On-the-fly machine learning of atomic potential in density functional theory structure optimization TL Jacobsen, MS Jørgensen, B Hammer Physical review letters 120 (2), 026102, 2018 | 138 | 2018 |
| Exploration versus exploitation in global atomistic structure optimization MS Jørgensen, UF Larsen, KW Jacobsen, B Hammer The Journal of Physical Chemistry A 122 (5), 1504-1509, 2018 | 74 | 2018 |
| Atomic energies from a convolutional neural network X Chen, MS Jørgensen, J Li, B Hammer Journal of chemical theory and computation 14 (7), 3933-3942, 2018 | 69 | 2018 |
| Combining evolutionary algorithms with clustering toward rational global structure optimization at the atomic scale MS Jørgensen, MN Groves, B Hammer Journal of Chemical Theory and Computation 13 (3), 1486-1493, 2017 | 61 | 2017 |
| Atomistic structure learning MS Jørgensen, HL Mortensen, SA Meldgaard, EL Kolsbjerg, TL Jacobsen, ... The Journal of Chemical Physics 151 (5), 2019 | 45 | 2019 |
| Accelerating atomic structure search with cluster regularization KH Sørensen, MS Jørgensen, A Bruix, B Hammer The Journal of Chemical Physics 148 (24), 2018 | 32 | 2018 |
| Structure of the Surface LR Merte, MS Jørgensen, K Pussi, J Gustafson, M Shipilin, A Schaefer, ... Physical review letters 119 (9), 096102, 2017 | 31 | 2017 |
| Structure prediction of surface reconstructions by deep reinforcement learning SA Meldgaard, HL Mortensen, MS Jørgensen, B Hammer Journal of Physics: Condensed Matter 32 (40), 404005, 2020 | 29 | 2020 |
