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Nature Communications|February 15, 2025
Non-local interactions determine local structure and lithium diffusion in solid electrolytesSwastika Banerjee, Alexandre TkatchenkoCommunications Chemistry|April 24, 2025
Ion coordination and migration mechanisms in alkali metal complex borohydride-based solid electrolytesShweta Choudhary, Swastika BanerjeePhysical Review Letters|March 5, 2009
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference dataAlexandre Tkatchenko, Matthias SchefflerThe Journal of Physical Chemistry Letters|July 9, 2021
Machine Learning Force Fields: Recent Advances and Remaining ChallengesIgor Poltavsky, Alexandre TkatchenkoAccounts of Chemical Research|June 6, 2014
Understanding molecular crystals with dispersion-inclusive density functional theory: pairwise corrections and beyondLeeor Kronik, Alexandre TkatchenkoJournal of Chemical Theory and Computation|August 29, 2024
van der Waals Radii of Free and Bonded Atoms from Hydrogen (Z = 1) to Oganesson (Z = 118)Jorge Charry, Alexandre TkatchenkoThe Journal of Physical Chemistry. B|July 21, 2006
Unequal-sphere packing model for simulation of the uniaxially compressed iodine adlayer on Au(111)Alexandre Tkatchenko, Nikola BatinaThe Journal of Chemical Physics|November 10, 2006
Classification of hexagonal adlayer arrangements by means of collective geometrical propertiesAlexandre Tkatchenko, Nikola BatinaNature Communications|August 3, 2018
Tailoring van der Waals dispersion interactions with external electric chargesAndrii Kleshchonok, Alexandre TkatchenkoJournal of Chemical Theory and Computation|February 16, 2018
Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy ContributionsJan Hermann, Alexandre TkatchenkoPageof 22