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
3836 2017 Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles EL Kolsbjerg, AA Peterson, B Hammer
Physical Review B 97 (19), 195424, 2018
110 2018 An automated nudged elastic band method EL Kolsbjerg, MN Groves, B Hammer
The Journal of chemical physics 145 (9), 2016
110 2016 Atomistic structure learning MS Jørgensen, HL Mortensen, SA Meldgaard, EL Kolsbjerg, TL Jacobsen, ...
The Journal of Chemical Physics 151 (5), 2019
46 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
30 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 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
