Publications
Author(s):
Deepak Ojha, Thomas D. Kühne
Published in:
Scientific Reports, Issue 11/1, 2021, ISSN 2045-2322
Publisher:
Nature Publishing Group
DOI:
10.1038/s41598-021-81635-4
Author(s):
Jure Gujt, Peter Zimmer, Frederik Zysk, Vicky Süß, Claudia Felser, Matthias Bauer, Thomas D. Kühne
Published in:
Structural Dynamics, Issue 7/3, 2020, Page(s) 034101, ISSN 2329-7778
Publisher:
AIP Publishing
DOI:
10.1063/4.0000008
Author(s):
Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl
Published in:
Parallel Computing, Issue 111, 2022, Page(s) 102920, ISSN 0167-8191
Publisher:
Elsevier BV
DOI:
10.1016/j.parco.2022.102920
Author(s):
Varadarajan Rengaraj, Michael Lass, Christian Plessl, Thomas D. Kühne
Published in:
Computation, Issue 8/2, 2020, Page(s) 39, ISSN 2079-3197
Publisher:
MDPI
DOI:
10.3390/computation8020039
Author(s):
Hossam Elgabarty, Thomas D. Kühne
Published in:
Physical Chemistry Chemical Physics, Issue 22/19, 2020, Page(s) 10397-10411, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/c9cp06960g
Author(s):
Thomas D. Kühne, Julian Heske, Emil Prodan
Published in:
Annals of Physics, Issue 421, 2020, Page(s) 168290, ISSN 0003-4916
Publisher:
Academic Press
DOI:
10.1016/j.aop.2020.168290
Author(s):
Sam Azadi, George H. Booth, Thomas D. Kühne
Published in:
The Journal of Chemical Physics, Issue 153/20, 2020, Page(s) 204107, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0026499
Author(s):
Deepak Ojha; Thomas D. Kühne
Published in:
Molecules, Vol 25, Iss 3939, p 3939 (2020), Issue 6, 2020, ISSN 1420-3049
Publisher:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.20944/preprints202007.0332.v1
Author(s):
Thomas D. Kühne; Marcella Iannuzzi; Mauro Del Ben; Vladimir V. Rybkin; Patrick Seewald; Frederick Stein; Teodoro Laino; Rustam Z. Khaliullin; Ole Schütt; Florian Schiffmann; Dorothea Golze; Jan Wilhelm; Sergey Chulkov; Mohammad Hossein Bani-Hashemian; Valéry Weber; Urban Borštnik; Mathieu Taillefumier; Alice Shoshana Jakobovits; Alfio Lazzaro; Hans Pabst; Tiziano Müller; Robert Schade; Manuel
Published in:
Journal of Chemical Physics, 152 (19), Issue 22, 2020, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.5283/epub.45956
Author(s):
Jan Kessler, Francesco Calcavecchia, Thomas D. Kühne
Published in:
Advanced Theory and Simulations, Issue 2021, 2021, Page(s) 2000269, ISSN 2513-0390
Publisher:
Wiley-VCH
DOI:
10.1002/adts.202000269
Author(s):
Manjusha Chugh, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini, Thomas D Kühne
Published in:
Materials Research Express, Issue 8/8, 2021, Page(s) 085502, ISSN 2053-1591
Publisher:
IOP Publishing
DOI:
10.1088/2053-1591/ac1965
Author(s):
S. Alireza Ghasemi, Thomas D. Kühne
Published in:
Journal of Chemical Physics, Issue 154, 2021, Page(s) 074107, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0037319
Author(s):
Sam Azadi, T. D. Kühne
Published in:
Physical Review B, Issue 97/20, 2018, Page(s) 205428, ISSN 2469-9950
Publisher:
American Physical Society
DOI:
10.1103/PhysRevB.97.205428
Author(s):
Thomas D. Kühne, Emil Prodan
Published in:
Annals of Physics, Issue 391, 2018, Page(s) 120-149, ISSN 0003-4916
Publisher:
Academic Press
DOI:
10.1016/j.aop.2018.01.016
Author(s):
Deepak Ojha, Andrés Henao, Thomas D. Kühne
Published in:
The Journal of Chemical Physics, Issue 148/10, 2018, Page(s) 102328, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5005500
Author(s):
Francesco Calcavecchia, Thomas D. Kühne
Published in:
Zeitschrift für Naturforschung A, Issue 0/0, 2018, ISSN 0932-0784
Publisher:
Verlag der Zeitschrift fur Naturforschung
DOI:
10.1515/zna-2018-0180
Author(s):
Sam Azadi, Thomas D. Kühne
Published in:
Physical Review B, Issue 100/15, 2019, ISSN 2469-9950
Publisher:
American Physical Society
DOI:
10.1103/physrevb.100.155103
Author(s):
Dorothee Richters, Michael Lass, Andrea Walther, Christian Plessl, Thomas D. Kuhne
Published in:
Communications in Computational Physics, Issue 25/2, 2019, ISSN 1815-2406
Publisher:
Global Science Press
DOI:
10.4208/cicp.oa-2018-0053
Author(s):
Hossam Elgabarty, Naveen Kumar Kaliannan, Thomas D. Kühne
Published in:
Scientific Reports, Issue 9/1, 2019, ISSN 2045-2322
Publisher:
Nature Publishing Group
DOI:
10.1038/s41598-019-46449-5
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):
Timothy Clark, Julian Heske, Thomas D. Kühne
Published in:
ChemPhysChem, Issue 20/19, 2019, Page(s) 2461-2465, ISSN 1439-4235
Publisher:
John Wiley & Sons Ltd.
DOI:
10.1002/cphc.201900839
Author(s):
Naveen Kumar Kaliannan, Andres Henao Aristizabal, Hendrik Wiebeler, Frederik Zysk, Tatsuhiko Ohto, Yuki Nagata, Thomas D. Kühne
Published in:
Molecular Physics, 2019, Page(s) 1-10, ISSN 0026-8976
Publisher:
Taylor & Francis
DOI:
10.1080/00268976.2019.1620358
Author(s):
Deepak Ojha, Kristof Karhan, Thomas D. Kühne
Published in:
Scientific Reports, Issue 8/1, 2018, ISSN 2045-2322
Publisher:
Nature Publishing Group
DOI:
10.1038/s41598-018-35357-9
Author(s):
Ralf Walczak, Aleksandr Savateev, Julian Heske, Nadezda V. Tarakina, Sudhir Sahoo, Jan D. Epping, Thomas D. Kühne, Bogdan Kurpil, Markus Antonietti, Martin Oschatz
Published in:
Sustainable Energy & Fuels, Issue 3/10, 2019, Page(s) 2819-2827, ISSN 2398-4902
Publisher:
Royal Society of Chemistry
DOI:
10.1039/c9se00486f
Author(s):
Deepak Ojha, Naveen Kumar Kaliannan, Thomas D. Kühne
Published in:
Communications Chemistry, Issue 2/1, 2019, ISSN 2399-3669
Publisher:
Nature Publishing Group
DOI:
10.1038/s42004-019-0220-6
Author(s):
Elgabarty, Hossam; Kampfrath, Tobias; Bonthuis, Douwe Jan; Balos, Vasileios; Kaliannan, Naveen Kumar; Loche, Philip; Netz, Roland R.; Wolf, Martin; Kühne, Thomas D.; Sajadi, Mohsen
Published in:
Science Advances, 2020, ISSN 2375-2548
Publisher:
American Association for the Advancement of Science
DOI:
10.17169/refubium-29722
Author(s):
Andrei Gurinov, Benedikt Sieland, Andrey Kuzhelev, Hossam Elgabarty, Thomas D. Kühne, Thomas Prisner, Jan Paradies, Marc Baldus, Konstantin L. Ivanov, Svetlana Pylaeva
Published in:
Angewandte Chemie International Edition, Issue 60/28, 2021, Page(s) 15371-15375, ISSN 1433-7851
Publisher:
John Wiley & Sons Ltd.
DOI:
10.1002/anie.202103215
Author(s):
Sudhir K. Sahoo, Julian Heske, Markus Antonietti, Qing Qin, Martin Oschatz, Thomas D. Kühne
Published in:
ACS Applied Energy Materials, Issue 3/10, 2020, Page(s) 10061-10069, ISSN 2574-0962
Publisher:
ACS Publications
DOI:
10.1021/acsaem.0c01740
Author(s):
Sudhir K. Sahoo, Julian Heske, Sam Azadi, Zhenzhe Zhang, Nadezda V. Tarakina, Martin Oschatz, Rustam Z. Khaliullin, Markus Antonietti, Thomas D. Kühne
Published in:
Scientific Reports, Issue 10/1, 2020, ISSN 2045-2322
Publisher:
Nature Publishing Group
DOI:
10.1038/s41598-020-62638-z
Author(s):
Sudhir K. Sahoo, Ivo F. Teixeira, Aakash Naik, Julian Heske, Daniel Cruz, Markus Antonietti, Aleksandr Savateev, Thomas D. Kühne
Published in:
The Journal of Physical Chemistry C, Issue 125/25, 2021, Page(s) 13749-13758, ISSN 1932-7447
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpcc.1c03947
Author(s):
M. Alaraby Salem; Thomas D. Kühne
Published in:
Molecular Physics, 2020, ISSN 0026-8976
Publisher:
Taylor & Francis
DOI:
10.6084/m9.figshare.12854529.v1
Author(s):
Svetlana Pylaeva, Patrick Marx, Gurjot Singh, Thomas D. Kühne, Michael Roemelt, Hossam Elgabarty
Published in:
The Journal of Physical Chemistry A, Issue 125/3, 2021, Page(s) 867-874, ISSN 1089-5639
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpca.0c11296
Author(s):
Pouya Partovi-Azar, Thomas D. Kühne
Published in:
Micromachines, Issue 12, 2021, Page(s) 1212, ISSN 2072-666X
Publisher:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/mi12101212
Author(s):
Michael Lass, Stephan Mohr, Hendrik Wiebeler, Thomas D. Kühne, Christian Plessl
Published in:
Proceedings of the Platform for Advanced Scientific Computing Conference on - PASC '18, 2018, Page(s) 1-11, ISBN 9781-450358910
Publisher:
ACM Press
DOI:
10.1145/3218176.3218231
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