Publications of Alexandre Tkatchenko
All genres
Journal Article (101)
2016
Journal Article
Fairoja Cheenicode Kabeer, , , Alexandre Tkatchenko, , and : , , Noncovalent Bonding Controls Selectivity in Heterogeneous Catalysis: Coupling Reactions on Gold.
Journal Article
Matthias Scheffler, , , , , , Alexandre Tkatchenko, , , , , , , and : , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , Reproducibility in density functional theory calculations of solids.
Journal Article
Liu, Wei, , , , , and Alexandre Tkatchenko: Identical Binding Energies and Work Functions for Distinct Adsorption Structures: Olympicenes on the Cu(111) Surface.
Journal Article
Jan Hermann and Alexandre Tkatchenko: , Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.
Journal Article
Wei Liu, Igor Poltavskyi, , , , Karsten Reuter and Alexandre Tkatchenko: , Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag(111).
Journal Article
Victor Gonzalo Ruiz Lopez, Javier Camarillo Cisnéros, , Nicola Ferri, Karsten Reuter and Alexandre Tkatchenko: , Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory.
Journal Article
Poltavskyi, Igor and Alexandre Tkatchenko: Modeling quantum nuclei with perturbed path integral molecular dynamics.
Journal Article
Saswata Bhattacharya, , , , , , , , , , , , , , , , , , , , , , , , , Luca M. Ghiringhelli, , , , , Johannes Hoja, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , Karsten Reuter, , , , , , , , Alexandre Tkatchenko, , , , , , , , , , and : , , , Report on the sixth blind test of organic crystal structure prediction methods.
Journal Article
Ruiz Lopez, Victor Gonzalo, Wei Liu and Alexandre Tkatchenko: Density-functional theory with screened van der Waals interactions applied to atomic and molecular adsorbates on close-packed and non-close-packed surfaces.
Journal Article
Alexandre Tkatchenko, , and : , , Materials perspective on Casimir and van der Waals interactions.
2015
Journal Article
Cisnéros, Javier Camarillo, Wei Liu and Alexandre Tkatchenko: Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces.
Journal Article
Ferri, Nicola, , Alberto Ambrosetti, and Alexandre Tkatchenko: Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional.
Journal Article
Gao, Wang and Alexandre Tkatchenko: Sliding Mechanisms in Multilayered Hexagonal Boron Nitride and Graphene: The Effects of Directionality, Thickness, and Sliding Constraints.
Journal Article
Hansen, Katja, , , , , and Alexandre Tkatchenko: Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space.
Journal Article
Liu, Wei, , , , , , , and Alexandre Tkatchenko: Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals.
Journal Article
Victor Gonzalo Ruiz Lopez and Alexandre Tkatchenko: , Many-body dispersion effects in the binding of adsorbates on metal surfaces.
Journal Article
Reilly, Anthony and Alexandre Tkatchenko: van der Waals dispersion interactions in molecular materials: beyond pairwise additivity.
Journal Article
Tkatchenko, Alexandre: Current Understanding of Van der Waals Effects in Realistic Materials.
2014
Journal Article
Ambrosetti, Alberto, , and Alexandre Tkatchenko: Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems.
Journal Article
Ambrosetti, Alberto, Anthony Reilly, and Alexandre Tkatchenko: Long-range correlation energy calculated from coupled atomic response functions.