Publications of Angelos Michaelides
All genres
Journal Article (19)
2009
Journal Article
Carrasco, Javier, Angelos Michaelides, , , and : A one-dimensional ice structure built from pentagons.
Journal Article
Carrasco, Javier, Angelos Michaelides and Matthias Scheffler: Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces.
Journal Article
Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations.
Journal Article
, , , Angelos Michaelides, , Karsten Reuter, , , Matthias Scheffler and : Experimental and theoretical study of oxygen adsorption structures on Ag(111).
2008
Journal Article
, Javier Carrasco, Angelos Michaelides and : Manipulation and control of hydrogen bond dynamics in adsorbed ice nanoclusters.
Journal Article
Hu, Xiao Liang and Angelos Michaelides: Water on the hydroxylated (0 0 1) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer.
Journal Article
Li, Bo, Angelos Michaelides and Matthias Scheffler: How strong is the bond between water and salt?
Journal Article
Liu, Limin, and Angelos Michaelides: Density oscillations in a nanoscale water film on salt: Insight from ab initio molecular dynamics.
Journal Article
Pan, Ding, Li-Min Liu, , , Angelos Michaelides and Enge Wang: Surface energy and surface proton order of ice Ih.
Journal Article
Santra, Biswajit, Angelos Michaelides, Martin Fuchs, Alexandre Tkatchenko, and Matthias Scheffler: 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.
2007
Journal Article
Hu, Xiao Liang and Angelos Michaelides: Ice formation on kaolinite: Lattice match or amphoterism?
Journal Article
Li, Bo, Angelos Michaelides and Matthias Scheffler: Density functional theory study of flat and stepped NaCl(001).
Journal Article
Michaelides, Angelos: Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope.’
Journal Article
Michaelides, Angelos and : Ice nanoclusters at hydrophobic metal surfaces.
Journal Article
Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit.
2006
Journal Article
Li, Bo, Angelos Michaelides and Matthias Scheffler: "Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces.
Journal Article
Michaelides, Angelos: Density functional theory simulations of water-metal interfaces: waltzing waters, a novel 2D ice phase, and more.
Journal Article
, Angelos Michaelides, , , Karsten Reuter, , Matthias Scheffler and : Revisiting the structure of the p(4 x 4) surface oxide on Ag(111).
2005
Journal Article
Michaelides, Angelos, Karsten Reuter and Matthias Scheffler: When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
Thesis - PhD (1)
2010
Thesis - PhD
Santra, Biswajit: Density-Functional Theory Exchange-Correlation Functionals for Hydrogen Bonds in Water.