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Thomas D. Kühne

Researcher Next ID · RN-000251

Professor · Computer Science

Paderborn University

Paderborn, Germany

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Not currently recruitingFunding unknown
Works count
409
Citation count
13,642
H-index
50
i10-index
135

About

408 publications and 13,623 citations recorded on OpenAlex.

Research interests

Computer Science
Spectroscopy and Quantum Chemical Studies
Advanced Chemical Physics Studies
Quantum, superfluid, helium dynamics
Plant Virus Research Studies
Machine Learning in Materials Science

Publications

  • CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

    The Journal of Chemical Physics · 2020 · 10.1063/5.0007045

  • Vibrational Spectroscopy and Dynamics of Water

    Chemical Reviews · 2016 · 10.1021/acs.chemrev.5b00640

  • Proton transfer through the water gossamer

    Proceedings of the National Academy of Sciences · 2013 · 10.1073/pnas.1306642110

  • Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

    Physical Review Letters · 2007 · 10.1103/physrevlett.98.066401

  • Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials

    Applied Physics Letters · 2007 · 10.1063/1.2801626

Current projects

    No projects listed.