Search Results - Alexandre Tkatchenko

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  1. 1

    Nonstabilizerness in molecular bonding by Matthieu Sarkis, Alexandre Tkatchenko

    Published in Physical Review Research (2026-06-01)
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  2. 2

    Non-local interactions determine local structure and lithium diffusion in solid electrolytes by Swastika Banerjee, Alexandre Tkatchenko

    Published in Nature Communications (2025-02-01)
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  3. 3

    Tailoring van der Waals dispersion interactions with external electric charges by Andrii Kleshchonok, Alexandre Tkatchenko

    Published in Nature Communications (2018-08-01)
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  4. 4

    Anisotropic van der Waals dispersion forces in polymers: Structural symmetry breaking leads to enhanced conformational search by Mario Galante, Alexandre Tkatchenko

    Published in Physical Review Research (2023-02-01)
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  5. 5

    Modeling noncovalent interatomic interactions on a photonic quantum computer by Matthieu Sarkis, Alessio Fallani, Alexandre Tkatchenko

    Published in Physical Review Research (2023-10-01)
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  6. 6

    Second quantization of many-body dispersion interactions for chemical and biological systems by Matteo Gori, Philip Kurian, Alexandre Tkatchenko

    Published in Nature Communications (2023-12-01)
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  7. 7

    Power of the Many‐Body Force: Magnitudes and Angles of Atomic Van der Waals Dispersion Forces in Extended Molecular Systems by Raul Ian Sosa, Mario Galante, Alexandre Tkatchenko

    Published in Small Structures (2025-10-01)
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  8. 8

    Inverse mapping of quantum properties to structures for chemical space of small organic molecules by Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko

    Published in Nature Communications (2024-07-01)
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  9. 9

    TIHI Toolkit: A Peak Finder and Analyzer for Spectroscopic Data by Kyunghoon Han, Ariadni Boziki, Alexandre Tkatchenko, Joshua T. Berryman

    Published in ACS Omega (2024-12-01)
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  10. 10

    Quantum framework for describing retarded and nonretarded molecular interactions in external electric fields by Mohammad Reza Karimpour, Dmitry V. Fedorov, Alexandre Tkatchenko

    Published in Physical Review Research (2022-01-01)
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  11. 11

    Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers by Ornella Vaccarelli, Dmitry V. Fedorov, Martin Stöhr, Alexandre Tkatchenko

    Published in Physical Review Research (2021-08-01)
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  12. 12

    Performance of various density-functional approximations for cohesive properties of 64 bulk solids by Guo-Xu Zhang, Anthony M Reilly, Alexandre Tkatchenko, Matthias Scheffler

    Published in New Journal of Physics (2018-01-01)
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  13. 13

    Efficient interatomic descriptors for accurate machine learning force fields of extended molecules by Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, Igor Poltavsky, Alexandre Tkatchenko

    Published in Nature Communications (2023-06-01)
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  14. 14

    Author Correction: Efficient interatomic descriptors for accurate machine learning force fields of extended molecules by Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, Igor Poltavsky, Alexandre Tkatchenko

    Published in Nature Communications (2023-07-01)
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  15. 15

    Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors by Miguel Gallegos, Valentin Vassilev-Galindo, Igor Poltavsky, Ángel Martín Pendás, Alexandre Tkatchenko

    Published in Nature Communications (2024-05-01)
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  16. 16

    Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling by Alessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, Jörg Kurt Wegner, Alexandre Tkatchenko, Kostiantyn Chernichenko

    Published in Journal of Cheminformatics (2025-02-01)
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  17. 17

    Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response by Wei Liu, Victor G Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler, Alexandre Tkatchenko

    Published in New Journal of Physics (2013-01-01)
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  18. 18

    Machine learning in the prediction of human wellbeing by Ekaterina Oparina, Caspar Kaiser, Niccolò Gentile, Alexandre Tkatchenko, Andrew E. Clark, Jan-Emmanuel De Neve, Conchita D’Ambrosio

    Published in Scientific Reports (2025-01-01)
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  19. 19

    Atomic orbits in molecules and materials for improving machine learning force fields by Anton Charkin-Gorbulin, Artem Kokorin, Huziel E Sauceda, Stefan Chmiela, Claudio Quarti, David Beljonne, Alexandre Tkatchenko, Igor Poltavsky

    Published in Machine Learning: Science and Technology (2025-01-01)
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  20. 20

    Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions by Mirela Puleva, Leonardo Medrano Sandonas, Balázs D. Lőrincz, Jorge Charry, David M. Rogers, Péter R. Nagy, Alexandre Tkatchenko

    Published in Nature Communications (2025-09-01)
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