Angelos Michaelides
Cited by
Cited by
Van der Waals density functionals applied to solids
J Klimeš, DR Bowler, A Michaelides
Physical Review B 83 (19), 195131, 2011
Chemical accuracy for the van der Waals density functional
J Klimeš, DR Bowler, A Michaelides
Journal of Physics: Condensed Matter 22 (2), 022201, 2009
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), 2012
Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations
GC Sosso, J Chen, SJ Cox, M Fitzner, P Pedevilla, A Zen, A Michaelides
Chemical reviews 116 (12), 7078-7116, 2016
Water at interfaces
O Björneholm, MH Hansen, A Hodgson, LM Liu, DT Limmer, ...
Chemical reviews 116 (13), 7698-7726, 2016
Perspective: How good is DFT for water?
MJ Gillan, D Alfe, A Michaelides
The Journal of chemical physics 144 (13), 2016
A molecular perspective of water at metal interfaces
J. Carrasco, A. Hodgson and A. Michaelides
Nature Materials 11, 667, 2012
Stone-Wales defects in graphene and other planar -bonded materials
J Ma, D Alfč, A Michaelides, E Wang
Physical Review B 80 (3), 033407, 2009
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
Nuclear quantum effects in water and aqueous systems: Experiment, theory, and current challenges
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, ...
Chemical reviews 116 (13), 7529-7550, 2016
Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C–H activation
MD Marcinkowski, MT Darby, J Liu, JM Wimble, FR Lucci, S Lee, ...
Nature chemistry 10 (3), 325-332, 2018
vdW-DF Functional of Langreth and Lundqvist et al
J Klimes, D Bowler, A Michaelides
Phys. Rev. B 83, 195131, 2011
General model for water monomer adsorption on close-packed transition and noble metal surfaces
A Michaelides, VA Ranea, PL De Andres, DA King
Phys Rev Lett 90 (21), 2003
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
Quantum nature of the hydrogen bond
XZ Li, B Walker, A Michaelides
Proceedings of the National Academy of Sciences 108 (16), 6369-6373, 2011
Ice nanoclusters at hydrophobic metal surfaces
A Michaelides, K Morgenstern
Nature materials 6 (8), 597-601, 2007
Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures
G Tocci, L Joly, A Michaelides
Nano letters 14 (12), 6872-6877, 2014
Catalytic water formation on platinum: A first-principles study
A Michaelides, P Hu
Journal of the American Chemical Society 123 (18), 4235-4242, 2001
Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides
C Gattinoni, A Michaelides
Surface Science Reports 70 (3), 424-447, 2015
Active sites in heterogeneous ice nucleation—the example of K-rich feldspars
A Kiselev, F Bachmann, P Pedevilla, SJ Cox, A Michaelides, D Gerthsen, ...
Science 355 (6323), 367-371, 2017
The system can't perform the operation now. Try again later.
Articles 1–20