Angelos Michaelides
TitleCited byYear
Van der Waals density functionals applied to solids
J Klimeš, DR Bowler, A Michaelides
Physical Review B 83 (19), 195131, 2011
20042011
Chemical accuracy for the van der Waals density functional
J Klimeš, DR Bowler, A Michaelides
Journal of Physics: Condensed Matter 22 (2), 022201, 2009
15632009
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
J Klimeš, A Michaelides
The Journal of chemical physics 137 (12), 120901, 2012
7572012
Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces
A Michaelides, ZP Liu, CJ Zhang, A Alavi, DA King, P Hu
Journal of the American Chemical Society 125 (13), 3704-3705, 2003
3872003
Stone-Wales defects in graphene and other planar -bonded materials
J Ma, D Alfè, A Michaelides, E Wang
Physical Review B 80 (3), 033407, 2009
3852009
A molecular perspective of water at metal interfaces
J. Carrasco, A. Hodgson and A. Michaelides
Nature Materials 11, 667, 2012
3802012
General model for water monomer adsorption on close-packed transition and noble metal surfaces
A Michaelides, VA Ranea, PL De Andres, DA King
Physical review letters 90 (21), 216102, 2003
3762003
Michaelides, A. vdW-DF Functional of Langreth and Lundqvist et al
J Klimes, D Bowler
Phys. Rev. B 83, 195131, 2011
3732011
Catalytic water formation on platinum: A first-principles study
A Michaelides, P Hu
Journal of the American Chemical Society 123 (18), 4235-4242, 2001
3092001
Ice nanoclusters at hydrophobic metal surfaces
A Michaelides, K Morgenstern
Nature materials 6 (8), 597, 2007
2932007
Quantum nature of the hydrogen bond
XZ Li, B Walker, A Michaelides
Proceedings of the National Academy of Sciences 108 (16), 6369-6373, 2011
2492011
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
B Santra, A Michaelides, M Fuchs, A Tkatchenko, C Filippi, M Scheffler
The Journal of chemical physics 129 (19), 194111, 2008
2302008
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
W Liu, J Carrasco, B Santra, A Michaelides, M Scheffler, A Tkatchenko
Physical Review B 86 (24), 245405, 2012
2282012
Perspective: How good is DFT for water?
MJ Gillan, D Alfè, A Michaelides
The Journal of chemical physics 144 (13), 130901, 2016
2252016
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit
B Santra, A Michaelides, M Scheffler
The Journal of chemical physics 127 (18), 184104, 2007
2232007
Different surface chemistries of water on Ru {0001}: From monomer adsorption to partially dissociated bilayers
A Michaelides, A Alavi, DA King
Journal of the American Chemical Society 125 (9), 2746-2755, 2003
2152003
A density functional theory study of hydroxyl and the intermediate in the water formation reaction on Pt
A Michaelides, P Hu
The Journal of Chemical Physics 114 (1), 513-519, 2001
2012001
Water at interfaces
O Björneholm, MH Hansen, A Hodgson, LM Liu, DT Limmer, ...
Chemical reviews 116 (13), 7698-7726, 2016
1992016
Insight into H 2 O-ice adsorption and dissociation on metal surfaces from first-principles simulations
A Michaelides, A Alavi, DA King
Physical Review B 69 (11), 113404, 2004
1922004
A one-dimensional ice structure built from pentagons
J Carrasco, A Michaelides, M Forster, S Haq, R Raval, A Hodgson
Nature materials 8 (5), 427, 2009
1912009
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Articles 1–20