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Journal of Chemical Theory and Computation|May 12, 2018
Many-Body Descriptors for Predicting Molecular Properties with Machine Learning: Analysis of Pairwise and Three-Body Interactions in MoleculesWiktor Pronobis, Alexandre Tkatchenko, Klaus-Robert MüllerJournal of Chemical Theory and Computation|November 26, 2015
First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body EffectsAlexandre Tkatchenko, Dario Alfè, Kwang S KimThe Journal of Physical Chemistry Letters|September 24, 2021
Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of AtomsAlexandre Tkatchenko, Dmitry V Fedorov, Matteo GoriThe Journal of Physical Chemistry Letters|August 14, 2020
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural NetworksMartin Stöhr, Leonardo Medrano Sandonas, Alexandre TkatchenkoThe Journal of Physical Chemistry Letters|February 24, 2017
Molecular Seesaw: Intricate Dynamics and Versatile Chemistry of Heteroaromatics on Metal SurfacesSergey N Filimonov, Wei Liu, Alexandre TkatchenkoNature Communications|July 18, 2024
Inverse mapping of quantum properties to structures for chemical space of small organic moleculesAlessio Fallani, Leonardo Medrano Sandonas, Alexandre TkatchenkoThe Journal of Chemical Physics|September 17, 2015
Many-body dispersion effects in the binding of adsorbates on metal surfacesReinhard J Maurer, Victor G Ruiz, Alexandre TkatchenkoThe Journal of Chemical Physics|June 6, 2018
Quantum tunneling of thermal protons through pristine grapheneIgor Poltavsky, Limin Zheng, Majid Mortazavi, et al.Journal of the American Chemical Society|October 31, 2024
A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas AtomsDavid Danovich, Alexandre Tkatchenko, Santiago Alvarez, et al.Journal of the American Chemical Society|October 23, 2025
Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not SeeAlmaz Khabibrakhmanov, Matteo Gori, Carolin Müller, et al.Pageof 20