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 | 3575 | 2017 |
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 | 214 | 2014 |
Structure and mobility of metal clusters in MOFs: Au, Pd, and AuPd clusters in MOF-74 LB Vilhelmsen, KS Walton, DS Sholl Journal of the American Chemical Society 134 (30), 12807-12816, 2012 | 150 | 2012 |
Systematic Study of to Gold Clusters on MgO(100) Centers Using <?format ?>Density-Functional Theory LB Vilhelmsen, B Hammer Physical review letters 108 (12), 126101, 2012 | 150 | 2012 |
Steps on rutile TiO(110): Active sites for water and methanol dissociation U Martinez, LB Vilhelmsen, HH Kristoffersen, J Stausholm-Møller, ... Physical Review B—Condensed Matter and Materials Physics 84 (20), 205434, 2011 | 95 | 2011 |
Identification of the Catalytic Site at the Interface Perimeter of Au Clusters on Rutile TiO2(110) LB Vilhelmsen, B Hammer Acs Catalysis 4 (6), 1626-1631, 2014 | 81 | 2014 |
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 | 33 | 2016 |
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 | 33 | 2014 |
Thermodynamics of pore filling metal clusters in metal organic frameworks: Pd in UiO-66 LB Vilhelmsen, DS Sholl The Journal of Physical Chemistry Letters 3 (24), 3702-3706, 2012 | 31 | 2012 |
Packing Defects into Ordered Structures: Strands on R Bechstein, HH Kristoffersen, LB Vilhelmsen, F Rieboldt, ... Physical Review Letters 108 (23), 236103, 2012 | 26 | 2012 |
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 | 20 | 2013 |
Investigating energetics of Au8 on graphene/Ru (0001) using a genetic algorithm and density functional theory D Teng, LB Vilhelmsen, DS Sholl Surface science 628, 98-103, 2014 | 4 | 2014 |
Interfacial oxygen under TiO2 supported Au nanoparticles LB Vilhelmsen, B Hammer ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
Hvorfor guld er det ædleste metal-et studie med tæthedsfunktionalteori LB Vilhelmsen, AMH Rasmussen Kvant, 12-16, 2013 | | 2013 |
Density Functional Theory Investigations of Supported Metal Clusters LB Vilhelmsen Aarhus Universitet, 0 | | |