Prof. Dr. Thomas Kühne

Former

Key research area Sustainable Materials, Processes and Products
Member - Former
Institute for Lightweight Design with Hybrid Systems
Committee - Former
ILH Board
Paderborn Center for Parallel Computing (PC2) ? Vorstand
Committee - Former
Vice Chairman
Theoretical Chemistry - Research Group Kühne
Head of Institute - Former
Lehrstuhlinhaber - Dynamics of Condensed Matter
E-Mail:
tdkuehne@mail.uni-paderborn.de
Phone:
+49 5251 60-5726
ORCID:
0000-0001-5471-2407
Web:
Homepage
Office Address:
365足彩投注_365体育投注@ Str. 100
33098 Paderborn
Room:
NW2.875

About Thomas Kühne

Curriculum Vitae

Since 09.01.2009: Promotion

Physik (Dr. Sc. ETH), ETH Zürich, Schweiz. Betreuer: Prof. Michele Parrinello

2018 - 2023: Professor (W3)

Theoretische Chemie, Universit?t Paderborn

2014 - 2018: Professor (W2)

Theoretische Grenzfl?chenchemie, Universit?t Paderborn

2010 - 2014: Juniorprofessor (W1)

Theoretische Chemie, Johannes Gutenberg-Universit?t Mainz, Deutschland

2009: Postdoc-Stipendiat

Institute of Theoretical Condensed Matter Physics, Harvard University, USA

2002 - 2005: Studium

Computational Science and Engineering (Dipl. Rech. Wiss. ETH), ETH Zürich, Schweiz

1999 - 2003: Studium

Informatik (B. Sc. ETH), ETH Zürich, Schweiz

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.

DOI

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.

DOI

Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo

J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).

DOI

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).

DOI

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. Gl??, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).

DOI arXiv

Show all publications

Scientific Engagement

Since 2022  |  Mitglied des wissenschaftlichen Beirats des Zuse-Instituts Berlin (ZIB)


Artistc Scientific Research

2016: ERC Starting Grant, Europ?ische Kommission

2018: Forschungspreis der Universit?t Paderborn, Deutschland

1997: Stipendium der Studienstiftung des deutschen Volkes, Deutschland