Articles with public access mandates - Bjørk HammerLearn more
Not available anywhere: 31
A genetic algorithm for first principles global structure optimization of supported nano structures
LB Vilhelmsen, B Hammer
The Journal of chemical physics 141 (4), 2014
Mandates: Danish Council for Independent Research, European Commission
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
Mandates: Danish Council for Independent Research, Villum Foundation
Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles
EL Kolsbjerg, AA Peterson, B Hammer
Physical Review B 97 (19), 195424, 2018
Mandates: Danish Council for Independent Research, Villum Foundation
An automated nudged elastic band method
EL Kolsbjerg, MN Groves, B Hammer
The Journal of chemical physics 145 (9), 2016
Mandates: Danish Council for Independent Research
CO intercalation of graphene on Ir (111) in the millibar regime
E Granas, M Andersen, MA Arman, T Gerber, B Hammer, J Schnadt, ...
The Journal of Physical Chemistry C 117 (32), 16438-16447, 2013
Mandates: German Research Foundation, Danish Council for Independent Research, Swedish …
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
Mandates: Danish Council for Independent Research, Villum Foundation
Role of Steps in the Dissociative Adsorption of Water on Rutile
HH Kristoffersen, JØ Hansen, U Martinez, YY Wei, J Matthiesen, R Streber, ...
Physical review letters 110 (14), 146101, 2013
Mandates: Danish Council for Independent Research
Study of alkylthiolate self-assembled monolayers on Au (111) using a semilocal meta-gga density functional
L Ferrighi, Y Pan, H Gronbeck, B Hammer
The Journal of Physical Chemistry C 116 (13), 7374-7379, 2012
Mandates: Swedish Research Council
Interaction between coronene and graphite from temperature-programmed desorption and DFT-vdW calculations: Importance of entropic effects and insights into graphite interlayer …
JD Thrower, EE Friis, AL Skov, L Nilsson, M Andersen, L Ferrighi, ...
The Journal of Physical Chemistry C 117 (26), 13520-13529, 2013
Mandates: Danish Council for Independent Research
Tight-binding approximation-enhanced global optimization
M Van den Bossche, H Gronbeck, B Hammer
Journal of chemical theory and computation 14 (5), 2797-2807, 2018
Mandates: Danish Council for Independent Research, Villum Foundation, Swedish Research …
Understanding intercalation structures formed under graphene on Ir (111)
M Andersen, L Hornekær, B Hammer
Physical Review B 90 (15), 155428, 2014
Mandates: Danish Council for Independent Research
Reduced Step Edges on Rutile as Competing Defects to Oxygen Vacancies <?format ?>on the Terraces and Reactive Sites for Ethanol Dissociation
U Martinez, JØ Hansen, E Lira, HH Kristoffersen, P Huo, R Bechstein, ...
Physical Review Letters 109 (15), 155501, 2012
Mandates: Danish Council for Independent Research
Sequential oxygen and alkali intercalation of epitaxial graphene on Ir (111): enhanced many-body effects and formation of pn-interfaces
S Ulstrup, M Andersen, M Bianchi, L Barreto, B Hammer, L Hornekær, ...
2D Materials 1 (2), 025002, 2014
Mandates: Danish Council for Independent Research, European Commission
Reduction of CO2 with Water on Pt-Loaded Rutile TiO2(110) Modeled with Density Functional Theory
N Umezawa, HH Kristoffersen, LB Vilhelmsen, B Hammer
The Journal of Physical Chemistry C 120 (17), 9160-9164, 2016
Mandates: European Commission
Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO2 (110)
F Rieboldt, LB Vilhelmsen, S Koust, JV Lauritsen, S Helveg, L Lammich, ...
The Journal of Chemical Physics 141 (21), 2014
Mandates: Danish Council for Independent Research, European Commission
Remote activation of chemical bonds in heterogeneous catalysis
AMH Rasmussen, MN Groves, B Hammer
ACS Catalysis 4 (4), 1182-1188, 2014
Mandates: Danish Council for Independent Research
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
Mandates: Villum Foundation
Packing Defects into Ordered Structures: Strands on
R Bechstein, HH Kristoffersen, LB Vilhelmsen, F Rieboldt, ...
Physical Review Letters 108 (23), 236103, 2012
Mandates: Danish Council for Independent Research
Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search
LB Vilhelmsen, B Hammer
The Journal of Chemical Physics 139 (20), 2013
Mandates: Danish Council for Independent Research
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
Mandates: Danish Council for Independent Research
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