CORDIS provides links to public deliverables and publications of HORIZON projects.
Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .
Publications
Author(s):
Karimpour, Mohammad Reza; Fedorov, Dmitry V.; Tkatchenko, Alexandre
Published in:
PHYSICAL REVIEW RESEARCH, Issue 26431564, 2022, Page(s) 013011, ISSN 2643-1564
Publisher:
APS
DOI:
10.48550/arxiv.2103.16410
Author(s):
Martin Stöhr, Mainak Sadhukhan, Yasmine S. Al-Hamdani, Jan Hermann & Alexandre Tkatchenko
Published in:
Nature communications, Issue 20411723, 2021, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-020-20473-w
Author(s):
Hermann, Jan and Tkatchenko, Alexandre
Published in:
Phys. Rev. Lett., Issue 10797114, 2020, ISSN 1079-7114
Publisher:
APS
DOI:
10.1103/physrevlett.124.146401
Author(s):
Paul Hauseux, Alberto Ambrosetti, Stéphane P. A. Bordas, Alexandre Tkatchenko
Published in:
Phys. Rev. Lett., Issue 10797114, 2022, ISSN 1079-7114
Publisher:
APS
DOI:
10.1103/physrevlett.128.106101
Author(s):
Huziel E. Sauceda, Valentin Vassilev-Galindo, Stefan Chmiela, Klaus-Robert Müller & Alexandre Tkatchenko
Published in:
Nature communications, Issue 20411723, 2021, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-020-20212-1
Author(s):
Johannes Hoja, Leonardo Medrano Sandonas, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr. & Alexandre Tkatchenko
Published in:
Scientific Data, Issue 20524463, 2021, ISSN 2052-4463
Publisher:
Nature Portfolio
DOI:
10.1038/s41597-021-00812-2
Author(s):
Gregory Fonseca, Igor Poltavsky, Valentin Vassilev-Galindo, and Alexandre Tkatchenko
Published in:
J. Chem. Phys., Issue 00219606, 2021, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0035530
Author(s):
Huziel E. Sauceda, Luis E. Gálvez-González, Stefan Chmiela, Lauro Oliver Paz-Borbón, Klaus-Robert Müller, Alexandre Tkatchenko
Published in:
Nat Commun, Issue 20411723, 2022, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-022-31093-x
Author(s):
Alberto Ambrosetti, Paolo Umari, Pier Luigi Silvestrelli, Joshua Elliott & Alexandre Tkatchenko
Published in:
Nature communications, Issue 20411723, 2022, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-022-28461-y
Author(s):
Martin StöhrMartin Stöhr, Leonardo Medrano Sandonas, and Alexandre Tkatchenko
Published in:
J. Phys. Chem. Lett., Issue 19487185, 2020, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.0c01307
Author(s):
Friedrich MaassFriedrich Maass, Mohsen Ajdari, Fairoja Cheenicode Kabeer, Maximilian Vogtland, Alexandre Tkatchenko, and Petra Tegeder
Published in:
J. Phys. Chem. Lett., Issue 19487185, 2019, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.9b00265
Author(s):
Péter Szabó; Szabolcs Góger; Jorge Charry; Mohammad Reza Karimpour; Dmitry V. Fedorov; Alexandre Tkatchenko
Published in:
PHYSICAL REVIEW LETTERS, Issue 10797114, 2022, ISSN 1079-7114
Publisher:
APS
DOI:
10.1103/physrevlett.128.070602
Author(s):
Ornella Vaccarelli, Dmitry V. Fedorov, Martin Stöhr, Alexandre Tkatchenko
Published in:
Physical Review Research, Issue 3/3, 2021, ISSN 2643-1564
Publisher:
APS
DOI:
10.1103/physrevresearch.3.033181
Author(s):
Valentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko
Published in:
J. Chem. Phys., Issue 00219606, 2021, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0038516
Author(s):
John A. Keith, Valentin Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus-Robert Müller, and Alexandre Tkatchenko
Published in:
Chem. Rev., Issue 00092665, 2021, ISSN 0009-2665
Publisher:
American Chemical Society
DOI:
10.1021/acs.chemrev.1c00107
Author(s):
Oliver T Unke, Stefan Chmiela, Huziel E Sauceda, Michael Gastegger, Igor Poltavsky, Kristof T Schütt, Alexandre Tkatchenko, Klaus-Robert Müller
Published in:
Chemical Reviews, Issue 15206890, 2021, ISSN 1520-6890
Publisher:
ACS
DOI:
10.1021/acs.chemrev.0c01111
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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 5/11, 2019, Page(s) eaaw0456, ISSN 2375-2548
Publisher:
American Association for the Advancement of Science
DOI:
10.1126/sciadv.aaw0456
Author(s):
O. Anatole von Lilienfeld, Klaus-Robert Müller, Alexandre Tkatchenko
Published in:
Nat Rev Chem, Issue 23973358, 2020, ISSN 2397-3358
Publisher:
Nature Portfolio
DOI:
10.1038/s41570-020-0189-9
Author(s):
Frank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, Cecilia Clementi
Published in:
Annual Review of Physical Chemistry, Issue 15451593, 2020, ISSN 1545-1593
Publisher:
Annual Reviews
DOI:
10.1146/annurev-physchem-042018-052331
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, Issue 152/12, 2020, Page(s) 124101, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5143190
Author(s):
Martin Stöhr, Troy Van Voorhisb and Alexandre Tkatchenko
Published in:
Chemical Society Reviews, Issue 03060012, 2019, ISSN 0306-0012
Publisher:
Royal Society of Chemistry
DOI:
10.1039/c9cs00060g
Author(s):
Yasmine S. Al-Hamdani, Péter R. Nagy, Andrea Zen, Dennis Barton, Mihály Kállay, Jan Gerit Brandenburg & Alexandre Tkatchenko
Published in:
Nat. Commun., Issue 20411723, 2021, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-021-24119-3
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, Issue 236, 2019, Page(s) 214-223, ISSN 0010-4655
Publisher:
Elsevier BV
DOI:
10.1016/j.cpc.2018.09.020
Author(s):
Reinhard J. Maurer, Christoph Freysoldt, Anthony M. Reilly, Jan Gerit Brandenburg, Oliver T. Hofmann, Torbjörn Björkman, Sébastien Lebègue, and Alexandre Tkatchenko
Published in:
Annual Review of Materials Research, Issue 15317331, 2019, ISSN 1531-7331
Publisher:
Annual Reviews, Inc.
DOI:
10.1146/annurev-matsci-070218-010143
Author(s):
Hauseux, P., Nguyen, TT., Ambrosetti, A,Saleme Ruiz, K., Bordas, S., Tkatchenko, A.
Published in:
Nature Communications, Issue 20411723, 2020, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-020-15480-w
Author(s):
Mohammad Reza Karimpour; Dmitry V. Fedorov; Alexandre Tkatchenko
Published in:
J. Phys. Chem. Lett., Issue 19487185, 2022, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.1c04222
Author(s):
Wiktor Pronobis, Alexandre Tkatchenko, Klaus-Robert Müller
Published in:
Journal of Chemical Theory and Computation, Issue 14/6, 2018, Page(s) 2991-3003, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.8b00110
Author(s):
Alexandre Tkatchenko, Dmitry V. Fedorov, and Matteo Gori
Published in:
Journal of Physical Chemistry Letters, Issue 19487185, 2021, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.1c02461
Author(s):
Mario Galante, Alexandre Tkatchenko
Published in:
2021
Publisher:
arxiv.org
DOI:
10.48550/arxiv.2110.06646
Author(s):
Matteo Gori, Philip Kurian, Alexandre Tkatchenko
Published in:
arxiv, 2022
Publisher:
arxiv.org
DOI:
10.48550/arxiv.2205.11549
Author(s):
Alexandre Tkatchenko, Pavlo Gordiichuk, Alberto Ambrosetti, Michael Strano
Published in:
Issue 26935015, 2022, ISSN 2693-5015
Publisher:
Research Square
DOI:
10.21203/rs.3.rs-1155685/v1
Author(s):
Stefan Chmiela, Valentin Vassilev-Galindo, Oliver T. Unke, Adil Kabylda, Huziel E. Sauceda, Alexandre Tkatchenko, Klaus-Robert Müller
Published in:
arxiv, 2022
Publisher:
arxiv.org
DOI:
10.48550/arxiv.2209.14865
Author(s):
Oliver T. Unke, Martin Stöhr, Stefan Ganscha, Thomas Unterthiner, Hartmut Maennel, Sergii Kashubin, Daniel Ahlin, Michael Gastegger, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Klaus-Robert Müller
Published in:
arxiv, 2022
Publisher:
arxiv.org
DOI:
10.48550/arxiv.2205.08306
Author(s):
Leonardo Medrano Sandonas, Johannes Hoja, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr., and Alexandre Tkatchenko
Published in:
2021
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2021-q9rc2
Author(s):
Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, Igor Poltavsky, Alexandre Tkatchenko
Published in:
arxiv, 2022
Publisher:
arxiv.org
DOI:
10.48550/arxiv.2209.03985
Author(s):
KT Schütt, S Chmiela, OA von Lilienfeld, A Tkatchenko, K Tsuda, KR Müller
Published in:
Lecture Notes in Physics, Issue 16166361, 2020, ISSN 1616-6361
Publisher:
Springer Nature
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):
Huziel E. Sauceda, Stefan Chmiela, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko
Published in:
Lecture Notes in Physics, 2020, ISBN 978-3-030-40245-7
Publisher:
Springer
DOI:
10.1007/978-3-030-40245-7_14
Author(s):
Kristof T. Schütt, Michael Gastegger, Alexandre Tkatchenko, Klaus-Robert Müller
Published in:
Explainable AI: Interpreting, Explaining and Visualizing Deep Learning, Issue 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):
Kristof T. Schütt, Alexandre Tkatchenko, Klaus-Robert Müller
Published in:
2018
Publisher:
Springer
DOI:
10.1007/978-3-030-40245-7_11
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