Thomas D. Kühne

24 papers A 1B 1Misc 1Journal 18Unranked 3
YearRankTypeTitle / Venue / Authors
2024 — conf
Autotarget*: A Distributed Robot Operating System Framework for Autonomous Aerial Swarms.
UR
Wilfried Yves Hamilton Adoni, Junaidh Shaik Fareedh, Sandra Lorenz, Richard Gloaguen, Thomas D. Kühne
2023 J jnl
A Two-Step Machine Learning Method for Predicting the Formation Energy of Ternary Compounds.
Comput.
Varadarajan Rengaraj, Sebastian Jost, Franz Bethke, Christian Plessl, Hossein Mirhosseini, Andrea Walther, Thomas D. Kühne
2023 J jnl
Breaking the exascale barrier for the electronic structure problem in
Int. J. High Perform. Comput. Appl.
Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas D. Kühne, Christian Plessl
2023 Misc conf
Computing and Compressing Electron Repulsion Integrals on FPGAs.
FCCM
Xin Wu, Tobias Kenter, Robert Schade, Thomas D. Kühne, Christian Plessl
2023 J jnl
Computing and Compressing Electron Repulsion Integrals on FPGAs.
CoRR
Xin Wu, Tobias Kenter, Robert Schade, Thomas D. Kühne, Christian Plessl
2022 J jnl
CP2K on the road to exascale.
CoRR
Thomas D. Kühne, Christian Plessl, Robert Schade, Ole Schütt
2022 J jnl
Towards electronic structure-based
Parallel Comput.
Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl
2021 J jnl
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.
CoRR
Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl
2021 — conf
Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.
ARC
Arjun Ramaswami, Tobias Kenter, Thomas D. Kühne, Christian Plessl
2020 J jnl
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K.
CoRR
Michael Lass, Robert Schade, Thomas D. Kühne, Christian Plessl
2020 A conf
A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K.
SC
Michael Lass, Robert Schade, Thomas D. Kühne, Christian Plessl
2020 J jnl
Accurate Sampling with Noisy Forces from Approximate Computing.
Comput.
Varadarajan Rengaraj, Michael Lass, Christian Plessl, Thomas D. Kühne
2020 B conf
Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAs.
FPL
Arjun Ramaswami, Tobias Kenter, Thomas D. Kühne, Christian Plessl
2020 J jnl
Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAs.
CoRR
Arjun Ramaswami, Tobias Kenter, Thomas D. Kühne, Christian Plessl
2019 J jnl
Accurate Sampling with Noisy Forces from Approximate Computing.
CoRR
Varadarajan Rengaraj, Michael Lass, Christian Plessl, Thomas D. Kühne
2019 J jnl
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes.
J. Comput. Chem.
Patrick Müller, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, Thomas D. Kühne
2018 — conf
A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices.
PASC
Michael Lass, Stephan Mohr, Hendrik Wiebeler, Thomas D. Kühne, Christian Plessl
2018 J jnl
Nuclear quantum effects induce metallization of dense solid molecular hydrogen.
J. Comput. Chem.
Sam Azadi, Ranber Singh, Thomas D. Kühne
2018 J jnl
Using Approximate Computing for the Calculation of Inverse Matrix
IEEE Embed. Syst. Lett.
Michael Lass, Thomas D. Kühne, Christian Plessl
2017 J jnl
A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices.
CoRR
Michael Lass, Stephan Mohr, Thomas D. Kühne, Christian Plessl
2017 J jnl
Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition.
J. Comput. Chem.
Andreas Lücke, Uwe Gerstmann, Thomas D. Kühne, Wolf Gero Schmidt
2017 J jnl
Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots.
CoRR
Michael Lass, Thomas D. Kühne, Christian Plessl
2016 J jnl
Assessing the accuracy of improved force-matched water models derived from
J. Comput. Chem.
Andreas Köster, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, Thomas D. Kühne
2015 J jnl
Efficient "On-the-Fly" calculation of Raman Spectra from
J. Comput. Chem.
Pouya Partovi-Azar, Thomas D. Kühne