Publications of Angelos Michaelides
All genres
Journal Article (19)
Journal Article
131 (12), pp. 124509-1 - 124509-9 (2009)
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations. The Journal of Chemical Physics
Journal Article
80 (7), 075424 (2009)
Experimental and theoretical study of oxygen adsorption structures on Ag(111). Physical Review B
Journal Article
130 (18), pp. 184707-1 - 184707-11 (2009)
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces. The Journal of Chemical Physics
Journal Article
8, pp. 427 - 431 (2009)
A one-dimensional ice structure built from pentagons. Nature Materials
Journal Article
602 (23), pp. L135 - L138 (2008)
How strong is the bond between water and salt? Surface Science
Journal Article
129 (19), pp. 194111-1 - 194111-14 (2008)
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions. Journal of Chemical Physics
Journal Article
101 (15), 155703 (2008)
Surface energy and surface proton order of ice Ih. Physical Review Letters
Journal Article
101 (13), 136102 (2008)
Manipulation and control of hydrogen bond dynamics in adsorbed ice nanoclusters. Physical Review Letters
Journal Article
130 (27), pp. 8572 - 8573 (2008)
Density oscillations in a nanoscale water film on salt: Insight from ab initio molecular dynamics. Journal of the American Chemical Society
Journal Article
602 (4), pp. 960 - 974 (2008)
Water on the hydroxylated (0 0 1) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer. Surface Science
Journal Article
127 (18), 184104 (2007)
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit. The Journal of Chemical Physics
Journal Article
601 (23), pp. 5378 - 5381 (2007)
Ice formation on kaolinite: Lattice match or amphoterism? Surface Science
Journal Article
76 (7), 075401 (2007)
Density functional theory study of flat and stepped NaCl(001). Physical Review B
Journal Article
136, pp. 287 - 297 (2007)
Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’. Faraday Discussions
Journal Article
6 (8), pp. 597 - 601 (2007)
Ice nanoclusters at hydrophobic metal surfaces. Nature Materials
Journal Article
85, pp. 415 - 425 (2006)
Density functional theory simulations of water-metal interfaces: waltzing waters, a novel 2D ice phase, and more. Applied Physics A
Journal Article
97 (4), 046802 (2006)
"Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces. Physical Review Letters
Journal Article
96 (14), 146101 (2006)
Revisiting the structure of the p(4 x 4) surface oxide on Ag(111). Physical Review Letters
Journal Article
23 (6), pp. 1487 - 1497 (2005)
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system? The Journal of Vacuum Science and Technology A Thesis - PhD (1)
Thesis - PhD
Density-Functional Theory Exchange-Correlation Functionals for Hydrogen Bonds in Water. Dissertation, Technische Universität Berlin, Berlin (2010)