Publications of Alexandre Tkatchenko
All genres
Journal Article (101)
2013
Journal Article
Hansen, Katja, , , , , Matthias Scheffler, , Alexandre Tkatchenko and : Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.
Journal Article
Liu, Wei, Sergey Filimonov, and Alexandre Tkatchenko: Molecular switches from benzene derivatives adsorbed on metal surfaces.
Journal Article
Liu, Wei, Victor G. Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler and Alexandre Tkatchenko: Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response.
Journal Article
, , Viktor Atalla, Sergey V. Levchenko, Anthony Reilly, , and Alexandre Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism.
Journal Article
, , Viktor Atalla, Sergey V. Levchenko, Anthony Reilly, , and Alexandre Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism.
Journal Article
, , Wei Liu, , , , , Alexandre Tkatchenko, , Karsten Reuter and : Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111).
Journal Article
, , Vivekanand Gobre, , Katja Hansen, Alexandre Tkatchenko, and : Machine Learning of Molecular Electronic Properties in Chemical Compound Space.
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Reilly, Anthony and Alexandre Tkatchenko: Seamless and Accurate Modeling of Organic Molecular Materials.
Journal Article
Reilly, Anthony and Alexandre Tkatchenko: Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals.
Journal Article
Rossi, Mariana, Alexandre Tkatchenko, and : The role of methyl-induced polarization in ion binding.
Journal Article
Santra, Biswajit, , Alexandre Tkatchenko, , , , and Matthias Scheffler: On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures.
Journal Article
, , Anthony Reilly, , Guo-Xu Zhang and Alexandre Tkatchenko: Electrodynamic response and stability of molecular crystals.
Journal Article
, , Alexandre Tkatchenko and : Understanding the Structure and Electronic Properties of Molecular Crystals under Pressure: Application of Dispersion Corrected DFT to Oligoacenes.
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, Wei Liu, Alexandre Tkatchenko, , , , and : Adsorption geometry determination of single molecules by atomic force microscopy.
Journal Article
Tkatchenko, Alexandre, Alberto Ambrosetti and : Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem.
2012
Journal Article
, and Alexandre Tkatchenko: Collective many-body van der Waals interactions in molecular systems.
Journal Article
, Alexandre Tkatchenko, and Matthias Scheffler: Benzene adsorbed on Si(001): The role of electron correlation and finite temperature.
Journal Article
Liu, Wei, , Biswajit Santra, , Matthias Scheffler and Alexandre Tkatchenko: Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding.
Journal Article
Liu, Wei, Aditya Ashi Savara, Xinguo Ren, Wiebke Ludwig, Karl-Heinz Dostert, Swetlana Schauermann, Alexandre Tkatchenko, Hans-Joachim Freund and Matthias Scheffler: Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111).
Journal Article
Ren, Xinguo, Patrick Rinke, Volker Blum, Jürgen Wieferink, Alexandre Tkatchenko, Andrea G. Sanfilippo, Karsten Reuter and Matthias Scheffler: Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions.