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Physical Review Letters|August 16, 2014
Role of dispersion interactions in the polymorphism and entropic stabilization of the aspirin crystalAnthony M Reilly, Alexandre TkatchenkoJournal of Chemical Theory and Computation|November 5, 2016
Role of Electron Correlation along the Water Splitting ReactionShibing Chu, Emanuele Coccia, Matteo Barborini, et al.The 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|December 25, 2016
Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag<sub>3</sub>Co(CN)<sub>6</sub> frameworkXiaofei Liu, Jan Hermann, Alexandre TkatchenkoThe 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 FrancoThe Journal of Chemical Physics|October 22, 2018
Angle-resolved photoemission spectroscopy from first-principles quantum Monte CarloMatteo Barborini, Sandro Sorella, Massimo Rontani, et al.Journal of Chemical Theory and Computation|October 7, 2016
Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte CarloMatteo Barborini, Sandro Sorella, Massimo Rontani, et al.Journal 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 TkatchenkoPageof 21