Prof. Dr. Thomas Kühne


Key research area Sustainable Materials, Processes and Products
Member - Former
Head of Institute - Former
Lehrstuhlinhaber - Dynamics of Condensed Matter
Office Address:
Warburger Str. 100
33098 Paderborn

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


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).

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Scientific Engagement

Since 2022  |  Member of the Scientific Committee of the Zuse Institute Berlin (ZIB)

Artistc Scientific Research

2016: ERC Starting Grant, European Commission

2018: Paderborn University Excellent Research Award, Germany

1997: Scholarship of the German Academic Scholarship Foundation, Germany