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327 Publications


2023 | Journal Article | LibreCat-ID: 45361 | OA
Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas Kühne, and Christian Plessl. “Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics.” The International Journal of High Performance Computing Applications, 2023. https://doi.org/10.1177/10943420231177631.
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2023 | Preprint | LibreCat-ID: 50172
Ochsenfeld, Stephan, and Sören Schlichting. “Hydrodynamic and Non-Hydrodynamic Excitations in Kinetic Theory -- A  Numerical Analysis in Scalar Field Theory.” ArXiv:2308.04491, 2023.
LibreCat | arXiv
 

2023 | Preprint | LibreCat-ID: 50221
Pleines, Marco, Matthias Pallasch, Frank Zimmer, and Mike Preuss. “Memory Gym: Towards Endless Tasks to Benchmark Memory Capabilities of  Agents.” ArXiv:2309.17207, 2023.
LibreCat | arXiv
 

2023 | Book Chapter | LibreCat-ID: 46191
Alt, Christoph, Tobias Kenter, Sara Faghih-Naini, Jennifer Faj, Jan-Oliver Opdenhövel, Christian Plessl, Vadym Aizinger, Jan Hönig, and Harald Köstler. “Shallow Water DG Simulations on FPGAs: Design and Comparison of a Novel Code Generation Pipeline.” In Lecture Notes in Computer Science. Cham: Springer Nature Switzerland, 2023. https://doi.org/10.1007/978-3-031-32041-5_5.
LibreCat | DOI
 

2023 | Preprint | LibreCat-ID: 43439
Van Hirtum, Lennart, Patrick De Causmaecker, Jens Goemaere, Tobias Kenter, Heinrich Riebler, Michael Lass, and Christian Plessl. “A Computation of D(9) Using FPGA Supercomputing.” ArXiv:2304.03039, 2023.
LibreCat | arXiv
 

2023 | Conference Paper | LibreCat-ID: 46188
Faj, Jennifer, Tobias Kenter, Sara Faghih-Naini, Christian Plessl, and Vadym Aizinger. “Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes.” In Proceedings of the Platform for Advanced Scientific Computing Conference (PASC). ACM, 2023. https://doi.org/10.1145/3592979.3593407.
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2023 | Conference Paper | LibreCat-ID: 46189
Prouveur, Charles, Matthieu Haefele, Tobias Kenter, and Nils Voss. “FPGA Acceleration for HPC Supercapacitor Simulations.” In Proceedings of the Platform for Advanced Scientific Computing Conference (PASC). ACM, 2023. https://doi.org/10.1145/3592979.3593419.
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2023 | Book Chapter | LibreCat-ID: 45893 | OA
Hansmeier, Tim, Tobias Kenter, Marius Meyer, Heinrich Riebler, Marco Platzner, and Christian Plessl. “Compute Centers I: Heterogeneous Execution Environments.” In On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets, edited by Claus-Jochen Haake, Friedhelm Meyer auf der Heide, Marco Platzner, Henning Wachsmuth, and Heike Wehrheim, 412:165–82. Verlagsschriftenreihe Des Heinz Nixdorf Instituts. Paderborn: Heinz Nixdorf Institut, Universität Paderborn, 2023. https://doi.org/10.5281/zenodo.8068642.
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2023 | Conference Paper | LibreCat-ID: 46190 | OA
Opdenhövel, Jan-Oliver, Christian Plessl, and Tobias Kenter. “Mutation Tree Reconstruction of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation.” In Proceedings of the 13th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies (HEART). ACM, 2023. https://doi.org/10.1145/3597031.3597050.
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2022 | Preprint | LibreCat-ID: 32177
Borghini, Nicolas, Marc Borrell, and Hendrik Roch. “Early Time Behavior of Spatial and Momentum Anisotropies in Kinetic  Theory across Different Knudsen Numbers.” ArXiv:2201.13294, 2022.
LibreCat | arXiv
 

2022 | Preprint | LibreCat-ID: 32178
Bachmann, Benedikt, Nicolas Borghini, Nina Feld, and Hendrik Roch. “Even Anisotropic-Flow Harmonics Are from Venus, Odd Ones Are from Mars.” ArXiv:2203.13306, 2022.
LibreCat | arXiv
 

2022 | Journal Article | LibreCat-ID: 32183
Hou, W, Y Yao, Y Li, B Peng, K Shi, Z Zhou, J Pan, M Liu, and J Hu. “Linearly Shifting Ferromagnetic Resonance Response of La0.7Sr0.3MnO3 Thin Film for Body Temperature Sensors.” Frontiers of Materials Science 16, no. 1 (2022).
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2022 | Journal Article | LibreCat-ID: 32234
Wojciechowski, M. “Dataset for Random Uniform Distributions of 2D Circles and 3D Spheres.” Data Brief 43 (2022): 108318.
LibreCat | PubMed | Europe PMC
 

2022 | Dissertation | LibreCat-ID: 32414
Lass, Michael. Bringing Massive Parallelism and Hardware Acceleration to Linear Scaling Density Functional Theory Through Targeted Approximations. Paderborn: Universität Paderborn, 2022. https://doi.org/10.17619/UNIPB/1-1281.
LibreCat | DOI
 

2022 | Preprint | LibreCat-ID: 36879 | OA
Churavy, Valentin, William F Godoy, Carsten Bauer, Hendrik Ranocha, Michael Schlottke-Lakemper, Ludovic Räss, Johannes Blaschke, et al. “Bridging HPC Communities through the Julia Programming Language,” 2022.
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2022 | Journal Article | LibreCat-ID: 40523
Jonas, B., Dirk Florian Heinze, E. Schöll, P. Kallert, T. Langer, S. Krehs, A. Widhalm, et al. “Nonlinear Down-Conversion in a Single Quantum Dot.” Nature Communications 13, no. 1 (2022). https://doi.org/10.1038/s41467-022-28993-3.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 46121
Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D. Moore, and Hai-Tao Shu. “Lattice QCD Noise Reduction for Bosonic Correlators through Blocking.” Physical Review D 105, no. 9 (2022). https://doi.org/10.1103/physrevd.105.094505.
LibreCat | DOI
 

2022 | Preprint | LibreCat-ID: 33493
Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
LibreCat | arXiv
 

2022 | Conference Paper | LibreCat-ID: 46193 | OA
Karp, Martin, Artur Podobas, Tobias Kenter, Niclas Jansson, Christian Plessl, Philipp Schlatter, and Stefano Markidis. “A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.” In International Conference on High Performance Computing in Asia-Pacific Region. ACM, 2022. https://doi.org/10.1145/3492805.3492808.
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2022 | Preprint | LibreCat-ID: 32404
Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CP2K on the Road to Exascale.” ArXiv:2205.14741, 2022.
LibreCat | Download (ext.) | arXiv
 

2022 | Journal Article | LibreCat-ID: 33226 | OA
Schade, Robert, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian Plessl, and Thomas Kühne. “Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers.” Phys. Rev. Research 4 (2022): 033160. https://doi.org/10.1103/PhysRevResearch.4.033160.
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2022 | Preprint | LibreCat-ID: 46275
Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” ArXiv:2209.12747, 2022.
LibreCat | arXiv
 

2022 | Journal Article | LibreCat-ID: 33684 | OA
Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing 111 (2022). https://doi.org/10.1016/j.parco.2022.102920.
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2022 | Journal Article | LibreCat-ID: 27364
Meyer, Marius, Tobias Kenter, and Christian Plessl. “In-Depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs Using OpenCL.” Journal of Parallel and Distributed Computing, 2022. https://doi.org/10.1016/j.jpdc.2021.10.007.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 50146
Moroder, Mattia, Martin Grundner, François Damanet, Ulrich Schollwöck, Sam Mardazad, Stuart Flannigan, Thomas Köhler, and Sebastian Paeckel. “Stable Bipolarons in Open Quantum Systems.” Physical Review B 107, 214310 (2023), 2022. https://doi.org/10.1103/PhysRevB.107.214310.
LibreCat | DOI | arXiv
 

2022 | Journal Article | LibreCat-ID: 50148
Borghini, Nicolas, Marc Borrell, Nina Feld, Hendrik Roch, Sören Schlichting, and Clemens Werthmann. “Statistical Analysis of Initial State and Final State Response in  Heavy-Ion Collisions.” Phys. Rev. C 107 (2023) 034905, 2022. https://doi.org/10.1103/PhysRevC.107.034905.
LibreCat | DOI | arXiv
 

2022 | Journal Article | LibreCat-ID: 50149
Lesch, Elena, Maximilian T Schilling, Sarah Brenner, Yingying Yang, Oliver J Gruss, Volker Knoop, and Mareike Schallenberg-Rüdinger. “Plant Mitochondrial RNA Editing Factors Can Perform Targeted C-to-U Editing of Nuclear Transcripts in Human Cells.” Nucleic Acids Research 50, no. 17 (2022): 9966–83. https://doi.org/10.1093/nar/gkac752.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 28099 | OA
Menzel, Johannes, Christian Plessl, and Tobias Kenter. “The Strong Scaling Advantage of FPGAs in HPC for N-Body Simulations.” ACM Transactions on Reconfigurable Technology and Systems 15, no. 1 (2021): 1–30. https://doi.org/10.1145/3491235.
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2021 | Conference Paper | LibreCat-ID: 27365
Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of HPC Using OpenCL Benchmarks.” In Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies, 2021. https://doi.org/10.1145/3468044.3468058.
LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 20886
Nickchen, Tobias, Stefan Heindorf, and Gregor Engels. “Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts.” In Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision, 1994–2002, 2021.
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2021 | Journal Article | LibreCat-ID: 32243
Dabelow, Lennart, Stefano Bo, and Ralf Eichhorn. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment 2021, no. 3 (2021). https://doi.org/10.1088/1742-5468/abe6fd.
LibreCat | DOI
 

2021 | Preprint | LibreCat-ID: 32244
Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms.” ArXiv:2104.08245, 2021.
LibreCat | arXiv
 

2021 | Preprint | LibreCat-ID: 32245
Farheen, Henna, Till Leuteritz, Stefan Linden, Viktor Myroshnychenko, and Jens Förstner. “Optimization of Optical Waveguide Antennas for Directive Emission of  Light.” ArXiv:2106.02468, 2021.
LibreCat | arXiv
 

2021 | Preprint | LibreCat-ID: 32236
Rose, H., O. V. Tikhonova, T. Meier, and P. Sharapova. “Steady States of $Λ$-Type Three-Level Systems Excited by Quantum  Light in Lossy Cavities.” ArXiv:2109.00842, 2021.
LibreCat | arXiv
 

2021 | Journal Article | LibreCat-ID: 46122
Kaczmarek, Olaf, Lukas Mazur, and Sayantan Sharma. “Eigenvalue Spectra of QCD and the Fate of <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Display="inline"><mml:Msub><mml:Mi>U</Mml:Mi><mml:Mi>A</Mml:Mi></Mml:Msub><mml:Mo Stretchy="false">(</Mml:Mo><mml:Mn>1</Mml:Mn><mml:Mo Stretchy="false">)</Mml:Mo></Mml:Math> Breaking towards the Chiral Limit.” Physical Review D 104, no. 9 (2021). https://doi.org/10.1103/physrevd.104.094518.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 46124
Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D. Moore, and H.-T. Shu. “Heavy Quark Momentum Diffusion from the Lattice Using Gradient Flow.” Physical Review D 103, no. 1 (2021). https://doi.org/10.1103/physrevd.103.014511.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 46123
Altenkort, Luis, Alexander M. Eller, O. Kaczmarek, Lukas Mazur, Guy D. Moore, and H.-T. Shu. “Sphaleron Rate from Euclidean Lattice Correlators: An Exploration.” Physical Review D 103, no. 11 (2021). https://doi.org/10.1103/physrevd.103.114513.
LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 46195
Karp, Martin, Artur Podobas, Niclas Jansson, Tobias Kenter, Christian Plessl, Philipp Schlatter, and Stefano Markidis. “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.” In 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). IEEE, 2021. https://doi.org/10.1109/ipdps49936.2021.00116.
LibreCat | DOI
 

2021 | Book Chapter | LibreCat-ID: 21587
Alhaddad, Samer, Jens Förstner, Stefan Groth, Daniel Grünewald, Yevgen Grynko, Frank Hannig, Tobias Kenter, et al. “HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids.” In Euro-Par 2020: Parallel Processing Workshops. Cham, 2021. https://doi.org/10.1007/978-3-030-71593-9_15.
LibreCat | Files available | DOI
 

2021 | Book Chapter | LibreCat-ID: 29936
Ramaswami, Arjun, Tobias Kenter, Thomas Kühne, and Christian Plessl. “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing.” In Applied Reconfigurable Computing. Architectures, Tools, and Applications. Cham: Springer International Publishing, 2021. https://doi.org/10.1007/978-3-030-79025-7_21.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 24788 | OA
Alhaddad, Samer, Jens Förstner, Stefan Groth, Daniel Grünewald, Yevgen Grynko, Frank Hannig, Tobias Kenter, et al. “The HighPerMeshes Framework for Numerical Algorithms on Unstructured Grids.” Concurrency and Computation: Practice and Experience, 2021, e6616. https://doi.org/10.1002/cpe.6616.
LibreCat | Files available | DOI
 

2021 | Journal Article | LibreCat-ID: 32240
Chatwell, René Spencer, Gabriela Guevara-Carrion, Yuri Gaponenko, Valentina Shevtsova, and Jadran Vrabec. “Diffusion of the Carbon Dioxide–Ethanol Mixture in the Extended Critical Region.” Physical Chemistry Chemical Physics 23, no. 4 (2021): 3106–15. https://doi.org/10.1039/d0cp04985a.
LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 29937
Karp, Martin, Artur Podobas, Niclas Jansson, Tobias Kenter, Christian Plessl, Philipp Schlatter, and Stefano Markidis. “High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection.” In 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS). IEEE, 2021. https://doi.org/10.1109/ipdps49936.2021.00116.
LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 46194
Kenter, Tobias, Adesh Shambhu, Sara Faghih-Naini, and Vadym Aizinger. “Algorithm-Hardware Co-Design of a Discontinuous Galerkin Shallow-Water Model for a Dataflow Architecture on FPGA.” In Proceedings of the Platform for Advanced Scientific Computing Conference (PASC). ACM, 2021. https://doi.org/10.1145/3468267.3470617.
LibreCat | Files available | DOI | Download (ext.)
 

2020 | Book Chapter | LibreCat-ID: 18789
Nickchen, Tobias, Gregor Engels, and Johannes Lohn. “Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain.” In Industrializing Additive Manufacturing. Cham, 2020. https://doi.org/10.1007/978-3-030-54334-1_4.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 32246
Mirhosseini, Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas D. Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Physical Chemistry Chemical Physics 22, no. 46 (2020): 26682–701. https://doi.org/10.1039/d0cp04712k.
LibreCat | DOI
 

2020 | Preprint | LibreCat-ID: 32242
Bengs, Viktor, and Eyke Hüllermeier. “Multi-Armed Bandits with Censored Consumption of Resources.” ArXiv:2011.00813, 2020.
LibreCat | arXiv
 

2020 | Journal Article | LibreCat-ID: 16277 | OA
Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020). https://doi.org/10.1063/5.0007045.
LibreCat | Files available | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 16898
Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K.” In Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society, 2020. https://doi.org/10.1109/SC41405.2020.00084.
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 21632
Meyer, Marius, Tobias Kenter, and Christian Plessl. “Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite.” In 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020. https://doi.org/10.1109/h2rc51942.2020.00007.
LibreCat | Files available | DOI | Download (ext.)
 

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