Prof. Dr. Thomas Kühne

Contact
Biography
Publications
Prof. Dr. Thomas Kühne

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

Phone:
+49 5251 60-5726
Office:
NW2.875
Web:
Visitor:
Warburger Str. 100
33098 Paderborn
Prof. Dr. Thomas Kühne
Education and Academic Career
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

Artistc Scientific Research
Since 2016

ERC Starting Grant, European Commission

2018

Paderborn University Excellent Research Award, Germany

1997 - 2005

Scholarship of the German Academic Scholarship Foundation, Germany

Miscellaneous
Since 2022

Chairman of the NHR User Committee

Since 2021

Founding member and chairman of the NHR Center for Computational Physics

Since 2021

Member of the Peer Review Board of the John von Neumann Institute for Computing (NIC) at the Forschungszentrum Jülich, Germany

Since 2020

Founding member and chairman of the NHR Atomistic Simulation Center

Since 2020

Review board member of the German Research Foundation (DFG)

Since 2020

Deputy director of the CECAM Node "Mathematics and Computation in Molecular Simulation"

Since 2019

Founding Director of the Center for Sustainable Systems Design, Paderborn University

Since 2019

Vice Dean of the Faculty of Science, Paderborn University

Since 2018

Chairman of the Peer Review Board of the Paderborn Center for Parallel Computing (PC2)

Since 2016

Deputy Chairman of the Paderborn Center for Parallel Computing (PC2)

Since 2014

Supervision of Researchers in Early Career Phases

Doctorates
Completed doctorates: 14, ongoing doctorates: 7

Selected Examples:

Kristof Karhan, 2014 – 2018, now Technology Consultant, TNG technology Consulting GmbH, Germany

Patrick Müller, 2015 – 2019, now Product Specialist, PerkinElmer, Germany

Hendrik Wiebeler, 2016 – 2020, now Software Developer, Fellowmind, Germany

Julian Heske, 2019 – 2022, now Postdoctoral Research Fellow, Technical University of Denmark (DTU), Denmark

Naveen Kumar Kaliannan, 2017 – 2023, now Data Scientist, Bertrandt AG, Germany
 

Postdocs
Total: 22 (out of which 5 professorships have been established), currently 2 postdocs.

Selected examples:

Francesco Calcavecchia, 2017 – 2018 now Research Scientist, DB Schenker, Germany

Manjusha Chugh, 2017 – 2020, Senior Scientist, Micron Technologies, USA

Andres Henao Aristizabal, 2017 – 2021, now Senior Research Scientist, Nextmol, Spain

Sudhir Kumar Sahoo, 2017 – 2021, now Assistant Professor, IIT Dharwad, India

Svetlana Pylaeva, 2019 – 2021, now DFG Walter Benjamin Fellow, Utrecht University, Netherlands

Mohammad Salem, 2019 – 2021, now Faculty Member, German University in Cairo, Egypt

Mohsen Sajadi, 2020 – 2021, now Research Scientist at ASML, Netherlands

Ramya Kormath Raghupathy, 2017 – 2022, now Research Scientist, Dyson, UK

Sam Azadi, 2017 – 2022, now Postdoctoral Researcher, Oxford University, UK

Alireza Ghasemi, 2019 – 2023, now Computational Science Specialist, Erlangen National High Performance Computing Center (NHR@FAU), Germany

Since 2014

Executive Board Member of the Institute of Lightweight Design with Hybrid Systems (ILH)

2010 - 2014

Principal Investigator of the DFG Graduate School of Excellence MAterials science IN mainZ (MAINZ), Germany

Scientific Engagement
Membership in Scientific Societies
Since 2022

Member of the Scientific Committee of the Zuse Institute Berlin (ZIB)

Since 2022

Member of the Scientific Committee of the Zuse Institute Berlin (ZIB)

Membership in Scientific Societies
Since 2022

Chairman of the NHR User Committee

Since 2021

Founding member and chairman of the NHR Center for Computational Physics

Since 2021

Member of the Peer Review Board of the John von Neumann Institute for Computing (NIC) at the Forschungszentrum Jülich, Germany

Since 2020

Founding member and chairman of the NHR Atomistic Simulation Center

Since 2020

Review board member of the German Research Foundation (DFG)

Since 2020

Deputy director of the CECAM Node "Mathematics and Computation in Molecular Simulation"

Since 2019

Founding Director of the Center for Sustainable Systems Design, Paderborn University

Since 2019

Vice Dean of the Faculty of Science, Paderborn University

Since 2018

Chairman of the Peer Review Board of the Paderborn Center for Parallel Computing (PC2)

Since 2016

ERC Starting Grant, European Commission

Artistc Scientific Research
Since 2016

Deputy Chairman of the Paderborn Center for Parallel Computing (PC2)

Since 2014

Supervision of Researchers in Early Career Phases

Doctorates
Completed doctorates: 14, ongoing doctorates: 7

Selected Examples:

Kristof Karhan, 2014 – 2018, now Technology Consultant, TNG technology Consulting GmbH, Germany

Patrick Müller, 2015 – 2019, now Product Specialist, PerkinElmer, Germany

Hendrik Wiebeler, 2016 – 2020, now Software Developer, Fellowmind, Germany

Julian Heske, 2019 – 2022, now Postdoctoral Research Fellow, Technical University of Denmark (DTU), Denmark

Naveen Kumar Kaliannan, 2017 – 2023, now Data Scientist, Bertrandt AG, Germany
 

Postdocs
Total: 22 (out of which 5 professorships have been established), currently 2 postdocs.

Selected examples:

Francesco Calcavecchia, 2017 – 2018 now Research Scientist, DB Schenker, Germany

Manjusha Chugh, 2017 – 2020, Senior Scientist, Micron Technologies, USA

Andres Henao Aristizabal, 2017 – 2021, now Senior Research Scientist, Nextmol, Spain

Sudhir Kumar Sahoo, 2017 – 2021, now Assistant Professor, IIT Dharwad, India

Svetlana Pylaeva, 2019 – 2021, now DFG Walter Benjamin Fellow, Utrecht University, Netherlands

Mohammad Salem, 2019 – 2021, now Faculty Member, German University in Cairo, Egypt

Mohsen Sajadi, 2020 – 2021, now Research Scientist at ASML, Netherlands

Ramya Kormath Raghupathy, 2017 – 2022, now Research Scientist, Dyson, UK

Sam Azadi, 2017 – 2022, now Postdoctoral Researcher, Oxford University, UK

Alireza Ghasemi, 2019 – 2023, now Computational Science Specialist, Erlangen National High Performance Computing Center (NHR@FAU), Germany

Since 2014

Executive Board Member of the Institute of Lightweight Design with Hybrid Systems (ILH)

Since 09.01.2009

Doctorate

Physics (Dr. Sc. ETH), ETH Zürich, Switzerland. Supervisor: Prof. Michele Parrinello

Education and Academic Career
2018 - 2023

Professor (W3)

Theoretical Chemistry, Paderborn University

Education and Academic Career
2018

Paderborn University Excellent Research Award, Germany

Artistc Scientific Research
2014 - 2018

Professor (W2)

Theoretical Interface Chemistry, Paderborn University

Education and Academic Career
2010 - 2014

Principal Investigator of the DFG Graduate School of Excellence MAterials science IN mainZ (MAINZ), Germany

2010 - 2014

Junior Professor (W1)

Theoretical Chemistry, Johannes Gutenberg University of Mainz, Germany

Education and Academic Career
2009

Postdoctoral Fellow

Institute of Theoretical Condensed Matter Physics, Harvard University, USA

Education and Academic Career
2002 - 2005

Degree programme

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

Education and Academic Career
1997 - 2005

Scholarship of the German Academic Scholarship Foundation, Germany

Artistc Scientific Research
1999 - 2003

Degree programme

Computer Science (B. Sc. ETH), ETH Zürich, Switzerland

Education and Academic Career

Publications

Latest Publications

Computing and Compressing Electron Repulsion Integrals on FPGAs
X. Wu, T. Kenter, R. Schade, T. Kühne, C. Plessl, in: 2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM), 2023, pp. 162–173.
Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics
R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, C. Plessl, The International Journal of High Performance Computing Applications (2023).
Ultrafast two-colour X-ray emission spectroscopy reveals excited state landscape in a base metal dyad
M. Nowakowski, M. Huber-Gedert, H. Elgabarty, J. Kubicki, A. Kertem, N. Lindner, D. Khakhulin, F.A. Lima, T.-K. Choi, M. Biednov, N. Piergies, P. Zalden, K. Kubicek, A. Rodriguez-Fernandez, M.A. Salem, T. Kühne, W. Gawelda, M. Bauer, Arxiv (2023).
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.
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