Publications of Alexandre Tkatchenko
All genres
Journal Article (101)
2016
Journal Article
F. Cheenicode Kabeer, , , A. Tkatchenko, , and : Noncovalent Bonding Controls Selectivity in Heterogeneous Catalysis: Coupling Reactions on Gold. Journal of the American Chemical Society 138 (46), 15243–15250 (2016).
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Journal Article
M. Scheffler, , , , , , A. Tkatchenko, , , , , , , and : Reproducibility in density functional theory calculations of solids. Science 351 (6280), 1415–1423 (2016).
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Journal Article
Liu, W., , , , , and A. Tkatchenko: Identical Binding Energies and Work Functions for Distinct Adsorption Structures: Olympicenes on the Cu(111) Surface. The Journal of Physical Chemistry Letters 7 (6), 1022–1027 (2016).
Journal Article
J. Hermann and A. Tkatchenko: Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework. The Journal of Chemical Physics 145 (24), 241101 (2016).
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Journal Article
W. Liu, I. Poltavskyi, , , , K. Reuter and A. Tkatchenko: Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag(111). Physical Review Letters 116 (14), 146101 (2016).
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Journal Article
V.G. Ruiz Lopez, J.C. Cisnéros, , N. Ferri, K. Reuter and A. Tkatchenko: Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory. Progress in Surface Science 91 (2), 72–100 (2016).
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Journal Article
Poltavskyi, I. and A. Tkatchenko: Modeling quantum nuclei with perturbed path integral molecular dynamics. Chemical Science 7 (2), 1368–1372 (2016).
Journal Article
S. Bhattacharya, , , , , , , , , , , , , , , , , , , , , , , , , L.M. Ghiringhelli, , , , , J. Hoja, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , K. Reuter, , , , , , , , A. Tkatchenko, , , , , , , , , , and : Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B 72 (4), 439–459 (2016).
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Journal Article
Ruiz Lopez, V.G., W. Liu and A. Tkatchenko: Density-functional theory with screened van der Waals interactions applied to atomic and molecular adsorbates on close-packed and non-close-packed surfaces. Physical Review B 93 (3), 035118 (2016).
Journal Article
A. Tkatchenko, , and : Materials perspective on Casimir and van der Waals interactions. Reviews of Modern Physics 88 (4), 045003 (2016).
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Journal Article
Cisnéros, J.C., W. Liu and A. Tkatchenko: Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces. Physical Review Letters 115 (8), 086101 (2015).
Journal Article
Ferri, N., , A. Ambrosetti, and A. Tkatchenko: Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional. Physical Review Letters 114 (17), 176802 (2015).
Journal Article
Gao, W. and A. Tkatchenko: Sliding Mechanisms in Multilayered Hexagonal Boron Nitride and Graphene: The Effects of Directionality, Thickness, and Sliding Constraints. Physical Review Letters 114 (09), 096101 (2015).
Journal Article
Hansen, K., , , , , and A. Tkatchenko: Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space. The Journal of Physical Chemistry Letters 6 (11), 2326–2331 (2015).
Journal Article
Liu, W., , , , , , , and A. Tkatchenko: Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals. Physical Review Letters 115 (3), 036104 (2015).
Journal Article
V.G. Ruiz Lopez and A. Tkatchenko: Many-body dispersion effects in the binding of adsorbates on metal surfaces. The Journal of Chemical Physics 143 (10), 102808 (2015).
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Journal Article
Reilly, A. and A. Tkatchenko: van der Waals dispersion interactions in molecular materials: beyond pairwise additivity. Chemical Science (6), 3289–3301 (2015).
Journal Article
Tkatchenko, A.: Current Understanding of Van der Waals Effects in Realistic Materials. Advanced Functional Materials 25 (13), 2054–2061 (2015).
2014
Journal Article
Ambrosetti, A., , and A. Tkatchenko: Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems. The Journal of Physical Chemistry Letters 5 (5), 849–855 (2014).
Journal Article
Ambrosetti, A., A. Reilly, and A. Tkatchenko: Long-range correlation energy calculated from coupled atomic response functions. The Journal of Chemical Physics 140 (18), 18A508 (2014).