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Physical Review Letters|September 26, 2012
Accurate and efficient method for many-body van der Waals interactionsAlexandre Tkatchenko, Robert A DiStasio, Roberto Car, et al.Physical Review Letters|November 17, 2018
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals RadiusDmitry V Fedorov, Mainak Sadhukhan, Martin Stöhr, et al.ACS Omega|December 23, 2024
TIHI Toolkit: A Peak Finder and Analyzer for Spectroscopic DataKyunghoon Han, Ariadni Boziki, Alexandre Tkatchenko, et al.Nature Reviews. Chemistry|May 2, 2023
Exploring chemical compound space with quantum-based machine learningO Anatole von Lilienfeld, Klaus-Robert Müller, Alexandre TkatchenkoScience (New York, N.Y.)|March 12, 2016
Wavelike charge density fluctuations and van der Waals interactions at the nanoscaleAlberto Ambrosetti, Nicola Ferri, Robert A DiStasio, et al.The Journal of Physical Chemistry. A|August 2, 2013
Understanding the structure and electronic properties of molecular crystals under pressure: application of dispersion corrected DFT to oligoacenesBohdan Schatschneider, Stephen Monaco, Alexandre Tkatchenko, et al.Proceedings of the National Academy of Sciences of the United States of America|July 24, 2013
Role of methyl-induced polarization in ion bindingMariana Rossi, Alexandre Tkatchenko, Susan B Rempe, et al.Annual Review of Physical Chemistry|February 25, 2020
Machine Learning for Molecular SimulationFrank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, et al.Physical Review Letters|December 15, 2023
Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude OscillatorsMatej Ditte, Matteo Barborini, Leonardo Medrano Sandonas, et al.Physical Chemistry Chemical Physics : PCCP|August 11, 2023
Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound spaceSzabolcs Góger, Leonardo Medrano Sandonas, Carolin Müller, et al.Pageof 22