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Angelos Michaelides
Angelos Michaelides
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Van der Waals density functionals applied to solids
J Klimeš, DR Bowler, A Michaelides
Physical Review B 83 (19), 195131, 2011
46622011
Chemical accuracy for the van der Waals density functional
J Klimeš, DR Bowler, A Michaelides
Journal of Physics: Condensed Matter 22 (2), 022201, 2009
35772009
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
12242012
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
8922016
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
7682019
Water at interfaces
O Björneholm, MH Hansen, A Hodgson, LM Liu, DT Limmer, ...
Chemical reviews 116 (13), 7698-7726, 2016
7382016
Perspective: How good is DFT for water?
MJ Gillan, D Alfe, A Michaelides
The Journal of chemical physics 144 (13), 2016
7112016
A molecular perspective of water at metal interfaces
J. Carrasco, A. Hodgson and A. Michaelides
Nature Materials 11, 667, 2012
7072012
Stone-Wales defects in graphene and other planar -bonded materials
J Ma, D Alfè, A Michaelides, E Wang
Physical Review B—Condensed Matter and Materials Physics 80 (3), 033407, 2009
6832009
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
6362003
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
6342016
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
5692018
General Model for Water Monomer Adsorption on Close-Packed Transition<? format?> and Noble Metal Surfaces
A Michaelides, VA Ranea, PL De Andres, DA King
Physical review letters 90 (21), 216102, 2003
4902003
Quantum nature of the hydrogen bond
XZ Li, B Walker, A Michaelides
Proceedings of the National Academy of Sciences 108 (16), 6369-6373, 2011
4702011
Ice nanoclusters at hydrophobic metal surfaces
A Michaelides, K Morgenstern
Nature materials 6 (8), 597-601, 2007
4332007
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
4262014
Catalytic water formation on platinum: A first-principles study
A Michaelides, P Hu
Journal of the American Chemical Society 123 (18), 4235-4242, 2001
3962001
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
3592015
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—Condensed Matter and Materials Physics 86 (24), 245405, 2012
3422012
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
3362017
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Artículos 1–20