Prof. Dr. Thomas Kühne
Former
- E-Mail:
- tdkuehne@mail.uni-paderborn.de
- Phone:
- +49 5251 60-5726
- ORCID:
- 0000-0001-5471-2407
- Web:
- Homepage
- Office Address:
-
Warburger Str. 100
33098 Paderborn - Room:
- NW2.875
About Thomas Kühne
Curriculum Vitae
Since 09.01.2009: Doctorate
Physics (Dr. Sc. ETH), ETH Zürich, Switzerland. Supervisor: Prof. Michele Parrinello
2018 - 2023: Professor (W3)
Theoretical Chemistry, Paderborn University
2014 - 2018: Professor (W2)
Theoretical Interface Chemistry, Paderborn University
2010 - 2014: Junior Professor (W1)
Theoretical Chemistry, Johannes Gutenberg University of Mainz, Germany
2009: Postdoctoral Fellow
Institute of Theoretical Condensed Matter Physics, Harvard University, USA
2002 - 2005: Degree programme
Computational Science and Engineering (Dipl. Rech. Wiss. ETH), ETH Zürich, Switzerland
1999 - 2003: Degree programme
Computer Science (B. Sc. ETH), ETH Zürich, Switzerland
Publications
Selected Publications
Time-resolved terahertz–Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water
V. Balos, N.K. Kaliannan, H. Elgabarty, M. Wolf, T. Kühne, M. Sajadi, Nature Chemistry 14 (2022) 1031–1037.
Parallel quantum chemistry on noisy intermediate-scale quantum computers
R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev. Research 4 (2022) 033160.
Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).
On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials
S. Kumar Sahoo, J.J. Heske, S. Azadi, Z. Zhang, Nadezda V Tarakina, M. Oschatz, R. Z. Khaliullin, Markus Antonietti, T. Kühne, Scientific Reports 10 (2020).
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
Show all publications
Scientific Engagement
Since 2022 | Member of the Scientific Committee of the Zuse Institute Berlin (ZIB)