| The atomic simulation environment—a Python library for working with atoms AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ... Journal of Physics: Condensed Matter 29 (27), 273002, 2017 | 3716 | 2017 |
| Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles EL Kolsbjerg, AA Peterson, B Hammer Physical Review B 97 (19), 195424, 2018 | 108 | 2018 |
| An automated nudged elastic band method EL Kolsbjerg, MN Groves, B Hammer The Journal of chemical physics 145 (9), 2016 | 108 | 2016 |
| Atomistic structure learning MS Jørgensen, HL Mortensen, SA Meldgaard, EL Kolsbjerg, TL Jacobsen, ... The Journal of Chemical Physics 151 (5), 2019 | 45 | 2019 |
| Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies SA Meldgaard, EL Kolsbjerg, B Hammer The Journal of chemical physics 149 (13), 2018 | 42 | 2018 |
| Exciting H2 Molecules for Graphene Functionalization L Kyhl, R Bisson, R Balog, MN Groves, EL Kolsbjerg, AM Cassidy, ... ACS nano 12 (1), 513-520, 2017 | 29 | 2017 |
| Pyridine adsorption and diffusion on Pt (111) investigated with density functional theory EL Kolsbjerg, MN Groves, B Hammer The Journal of Chemical Physics 144 (16), 2016 | 20 | 2016 |
| NH3 adsorption on anatase-TiO2 (101) S Koust, KC Adamsen, EL Kolsbjerg, Z Li, B Hammer, S Wendt, ... The Journal of Chemical Physics 148 (12), 2018 | 14 | 2018 |
| Supramolecular corrals on surfaces resulting from aromatic interactions of nonplanar triazoles SJ Jethwa, EL Kolsbjerg, SR Vadapoo, JL Cramer, L Lammich, ... ACS nano 11 (8), 8302-8310, 2017 | 9 | 2017 |
| on anatase : Diffusion mechanisms and the effect of intermolecular repulsion KC Adamsen, EL Kolsbjerg, S Koust, L Lammich, B Hammer, S Wendt, ... Physical Review Materials 4 (12), 121601, 2020 | 6 | 2020 |
| Rotation and diffusion of naphthalene on Pt (111) EL Kolsbjerg, G Goubert, PH McBreen, B Hammer The Journal of chemical physics 148 (12), 2018 | 5 | 2018 |
| Improving computational methods for modeling reactivity EL Kolsbjerg Aarhus Universitet, 2018 | | 2018 |
| An automated nudged elastic band method (vol 145, 094107, 2016) EL Kolsbjerg, MN Groves, B Hammer JOURNAL OF CHEMICAL PHYSICS 148 (2), 2018 | | 2018 |
| Adsorption and Diffusion of NH3 on Anatase-TiO2 (101) KC Adamsen, S Koust, EL Kolsbjerg, HS Wendt, JV Lauritsen | | |
