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Physical Review Letters|February 10, 2023
Casimir Self-Interaction Energy Density of Quantum Electrodynamic FieldsAlexandre Tkatchenko, Dmitry V FedorovChemical Science|August 1, 2017
van der Waals dispersion interactions in molecular materials: beyond pairwise additivityAnthony M Reilly, Alexandre TkatchenkoPhysical Review Letters|August 16, 2014
Role of dispersion interactions in the polymorphism and entropic stabilization of the aspirin crystalAnthony M Reilly, Alexandre TkatchenkoThe Journal of Chemical Physics|January 10, 2019
Understanding non-covalent interactions in larger molecular complexes from first principlesYasmine S Al-Hamdani, Alexandre TkatchenkoJournal of Chemical Theory and Computation|November 20, 2015
Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid FunctionalPiyush Agrawal, Alexandre Tkatchenko, Leeor KronikThe Journal of Chemical Physics|June 25, 2010
Two- and three-body interatomic dispersion energy contributions to binding in molecules and solidsO Anatole von Lilienfeld, Alexandre TkatchenkoThe Journal of Physical Chemistry Letters|February 15, 2018
Modeling Nonreactive Molecule-Surface Systems on Experimentally Relevant Time and Length Scales: Dynamics and Conductance of Polyfluorene on Au(111)Zhi Li, Alexandre Tkatchenko, Ignacio FrancoPhysical Chemistry Chemical Physics : PCCP|October 16, 2025
Unraveling chemical bonding mechanisms through dipole moment variations under external electric fieldsJorge Charry, Matteo Barborini, Alexandre TkatchenkoJournal of Chemical Theory and Computation|November 27, 2023
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the MicroscopeGregory Fonseca, Igor Poltavsky, Alexandre TkatchenkoScience Advances|May 6, 2022
Machine learning of material properties: Predictive and interpretable multilinear modelsAlice E A Allen, Alexandre TkatchenkoPageof 22