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Lasse B Vilhelmsen
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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
32742017
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
2052014
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
1482012
Systematic Study of to Gold Clusters on MgO(100) Centers Using Density-Functional Theory
LB Vilhelmsen, B Hammer
Physical review letters 108 (12), 126101, 2012
1452012
Steps on rutile TiO 2 (110): Active sites for water and methanol dissociation
U Martinez, LB Vilhelmsen, HH Kristoffersen, J Stausholm-Møller, ...
Physical Review B 84 (20), 205434, 2011
862011
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
792014
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
342014
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
332016
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
302012
Packing Defects into Ordered Structures: Strands on
R Bechstein, HH Kristoffersen, LB Vilhelmsen, F Rieboldt, ...
Physical Review Letters 108 (23), 236103, 2012
262012
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
202013
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
42014
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
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