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Publications
Author(s): Ornella Vaccarelli, Dmitry V. Fedorov, Martin Stöhr, Alexandre Tkatchenko
Published in: Physical Review Research, 3/3, 2021, ISSN 2643-1564
Publisher: APS
DOI: 10.1103/physrevresearch.3.033181
Author(s): Wei Liu, Yingda Jiang, Karl-Heinz Dostert, Casey P. O’Brien, Wiebke Riedel, Aditya Savara, Swetlana Schauermann, Alexandre Tkatchenko
Published in: Science Advances, 3/7, 2017, Page(s) e1700939, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.1700939
Author(s): Andrii Kleshchonok, Alexandre Tkatchenko
Published in: Nature Communications, 9/1, 2018, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-05407-x
Author(s): Guo-Xu Zhang, Anthony M Reilly, Alexandre Tkatchenko, Matthias Scheffler
Published in: New Journal of Physics, 20/6, 2018, Page(s) 063020, ISSN 1367-2630
Publisher: Institute of Physics Publishing
DOI: 10.1088/1367-2630/aac7f0
Author(s): Stefan Chmiela, Alexandre Tkatchenko, Huziel E. Sauceda, Igor Poltavsky, Kristof T. Schütt, Klaus-Robert Müller
Published in: Science Advances, 3/5, 2017, Page(s) e1603015, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.1603015
Author(s): Mainak Sadhukhan, Alexandre Tkatchenko
Published in: Physical Review Letters, 118/21, 2017, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.118.210402
Author(s): Mainak Sadhukhan, Alexandre Tkatchenko
Published in: Physical Review Letters, 120/25, 2018, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.120.258902
Author(s): Stefan Chmiela, Huziel E. Sauceda, Klaus-Robert Müller, Alexandre Tkatchenko
Published in: Nature Communications, 9/1, 2018, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-018-06169-2
Author(s): K. T. Schütt, H. E. Sauceda, P.-J. Kindermans, A. Tkatchenko, K.-R. Müller
Published in: The Journal of Chemical Physics, 148/24, 2018, Page(s) 241722, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5019779
Author(s): Majid Mortazavi, Jan Gerit Brandenburg, Reinhard J. Maurer, Alexandre Tkatchenko
Published in: The Journal of Physical Chemistry Letters, 9/2, 2018, Page(s) 399-405, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.7b03234
Author(s): Dmitry V. Fedorov, Mainak Sadhukhan, Martin Stöhr, Alexandre Tkatchenko
Published in: Physical Review Letters, 121/18, 2018, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.121.183401
Author(s): Huziel E. Sauceda, Stefan Chmiela, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko
Published in: The Journal of Chemical Physics, 150/11, 2019, Page(s) 114102, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5078687
Author(s): Stefan Chmiela, Huziel E. Sauceda, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko
Published in: Computer Physics Communications, 240, 2019, Page(s) 38-45, ISSN 0010-4655
Publisher: Elsevier BV
DOI: 10.1016/j.cpc.2019.02.007
Author(s): Yasmine S. Al-Hamdani, Alexandre Tkatchenko
Published in: The Journal of Chemical Physics, 150/1, 2019, Page(s) 010901, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5075487
Author(s): Johannes Hoja, Hsin-Yu Ko, Marcus A. Neumann, Roberto Car, Robert A. DiStasio, Alexandre Tkatchenko
Published in: Science Advances, 5/1, 2019, Page(s) eaau3338, ISSN 2375-2548
Publisher: AAAS
DOI: 10.1126/sciadv.aau3338
Author(s): K. T. Schütt, P. Kessel, M. Gastegger, K. A. Nicoli, A. Tkatchenko, K.-R. Müller
Published in: Journal of Chemical Theory and Computation, 15/1, 2018, Page(s) 448-455, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b00908
Author(s): Martin Stöhr, Alexandre Tkatchenko
Published in: Science Advances, 5/12, 2019, Page(s) eaax0024, ISSN 2375-2548
Publisher: AAAS
DOI: 10.1126/sciadv.aax0024
Author(s): Tristan Bereau, Robert A. DiStasio, Alexandre Tkatchenko, O. Anatole von Lilienfeld
Published in: The Journal of Chemical Physics, 148/24, 2018, Page(s) 241706, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5009502
Author(s): Jan Hermann, Alexandre Tkatchenko
Published in: Journal of Chemical Theory and Computation, 14/3, 2018, Page(s) 1361-1369, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.7b01172
Author(s): Prashanth S. Venkataram, Jan Hermann, Teerit J. Vongkovit, Alexandre Tkatchenko, Alejandro W. Rodriguez
Published in: Science Advances, 5/11, 2019, Page(s) eaaw0456, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.aaw0456
Author(s): B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J.
Published in: The Journal of Chemical Physics, 152/12, 2020, Page(s) 124101, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5143190
Author(s): Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemysław Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Clemence Corminboeuf, Thomas D. Kühne, David E. Manolopoulos, Thomas E. Markland, Jeremy O. Rich
Published in: Computer Physics Communications, 236, 2019, Page(s) 214-223, ISSN 0010-4655
Publisher: Elsevier BV
DOI: 10.1016/j.cpc.2018.09.020
Author(s): Wiktor Pronobis, Alexandre Tkatchenko, Klaus-Robert Müller
Published in: Journal of Chemical Theory and Computation, 14/6, 2018, Page(s) 2991-3003, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.8b00110
Author(s): Jan Hermann, Alexandre Tkatchenko
Published in: Handbook of Materials Modeling - Methods: Theory and Modeling, 2018, Page(s) 1-33, ISBN 978-3-319-42913-7
Publisher: Springer International Publishing
DOI: 10.1007/978-3-319-42913-7_6-1
Author(s): Kristof T. Schütt, Michael Gastegger, Alexandre Tkatchenko, Klaus-Robert Müller
Published in: Explainable AI: Interpreting, Explaining and Visualizing Deep Learning, 11700, 2019, Page(s) 311-330, ISBN 978-3-030-28953-9
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-28954-6_17
Author(s): Huziel E. Sauceda, Stefan Chmiela, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko
Published in: 2019
Publisher: arXiv.org
Author(s): Kristof T. Schütt, Alexandre Tkatchenko, Klaus-Robert Müller
Published in: 2018
Publisher: arXiv.org
Author(s): O. Anatole von Lilienfeld, Klaus-Robert Müller, Alexandre Tkatchenko
Published in: arXiv preprint, 2019
Publisher: arxiv.org
Author(s): Frank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, Cecilia Clementi
Published in: arXiv preprint, 2019
Publisher: arxiv.org