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DOI: 10.1088/1742-5468/abe6fd

@articleSchade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2021, title=Towards Electronic Structure-Based Ab-Initio Molecular Dynamics  Simulations with Hundreds of Millions of Atoms, journal=arXiv:2104.08245, author=Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas D. and et al., year=2021 
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arXiv: 2104.08245

@articleFarheen_Leuteritz_Linden_Myroshnychenko_Förstner_2021, title=Optimization of optical waveguide antennas for directive emission of  light, journal=arXiv:2106.02468, author=Farheen, Henna and Leuteritz, Till and Linden, Stefan and Myroshnychenko, Viktor and Förstner, Jens, year=2021 
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arXiv: 2106.02468

@articleRose_Tikhonova_Meier_Sharapova_2021, title=Steady states of $9b$-type three-level systems excited by quantum  light in lossy cavities, journal=arXiv:2109.00842, author=Rose, H. and Tikhonova, O. V. and Meier, T. and Sharapova, P. , year=2021 
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arXiv: 2109.00842

@articleKaczmarek_Mazur_Sharma_2021, title=Eigenvalue spectra of QCD and the fate of &;mml:math xmlns:mml="http://www..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, volume=104, DOI=10.1103/physrevd.104.094518, number=9094518, journal=Physical Review D, publisher=American Physical Society (APS), author=Kaczmarek, Olaf and Mazur, Lukas and Sharma, Sayantan, year=2021 
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@articleAltenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title=Heavy quark momentum diffusion from the lattice using gradient flow, volume=103, DOI=10.1103/physrevd.103.014511, number=1014511, journal=Physical Review D, publisher=American Physical Society (APS), author=Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and Mazur, Lukas and Moore, Guy D. and Shu, H.-T., year=2021 
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@articleAltenkort_Eller_Kaczmarek_Mazur_Moore_Shu_2021, title=Sphaleron rate from Euclidean lattice correlators: An exploration, volume=103, DOI=10.1103/physrevd.103.114513, number=11114513, journal=Physical Review D, publisher=American Physical Society (APS), author=Altenkort, Luis and Eller, Alexander M. and Kaczmarek, O. and Mazur, Lukas and Moore, Guy D. and Shu, H.-T., year=2021 
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@inproceedingsKarp_Podobas_Jansson_Kenter_Plessl_Schlatter_Markidis_2021, title=High-Performance Spectral Element Methods on Field-Programmable Gate Arraysf: Implementation, Evaluation, and Future Projection, DOI=10.1109/ipdps49936.2021.00116, booktitle=2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), publisher=IEEE, author=Karp, Martin and Podobas, Artur and Jansson, Niclas and Kenter, Tobias and Plessl, Christian and Schlatter, Philipp and Markidis, Stefano, year=2021 
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@inbookAlhaddad_Förstner_Groth_Grünewald_Grynko_Hannig_Kenter_Pfreundt_Plessl_Schotte_et al._2021, place=Cham, title=HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids, DOI=10.1007/978-3-030-71593-9_15, booktitle=Euro-Par 2020: Parallel Processing Workshops, author=Alhaddad, Samer and Förstner, Jens and Groth, Stefan and Grünewald, Daniel and Grynko, Yevgen and Hannig, Frank and Kenter, Tobias and Pfreundt, Franz-Josef and Plessl, Christian and Schotte, Merlind and et al., year=2021 
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@inbookRamaswami_Kenter_Kühne_Plessl_2021, place=Cham, title=Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing, DOI=10.1007/978-3-030-79025-7_21, booktitle=Applied Reconfigurable Computing. Architectures, Tools, and Applications, publisher=Springer International Publishing, author=Ramaswami, Arjun and Kenter, Tobias and Kühne, Thomas and Plessl, Christian, year=2021 
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@articleAlhaddad_Förstner_Groth_Grünewald_Grynko_Hannig_Kenter_Pfreundt_Plessl_Schotte_et al._2021, title=The HighPerMeshes framework for numerical algorithms on unstructured grids, DOI=10.1002/cpe.6616, journal=Concurrency and Computation: Practice and Experience, author=Alhaddad, Samer and Förstner, Jens and Groth, Stefan and Grünewald, Daniel and Grynko, Yevgen and Hannig, Frank and Kenter, Tobias and Pfreundt, FranzJosef and Plessl, Christian and Schotte, Merlind and et al., year=2021, pages=e6616 
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@articleChatwell_Guevara-Carrion_Gaponenko_Shevtsova_Vrabec_2021, title=Diffusion of the carbon dioxide–ethanol mixture in the extended critical region, volume=23, DOI=10.1039/d0cp04985a, number=4, journal=Physical Chemistry Chemical Physics, publisher=Royal Society of Chemistry (RSC), author=Chatwell, René Spencer and Guevara-Carrion, Gabriela and Gaponenko, Yuri and Shevtsova, Valentina and Vrabec, Jadran, year=2021, pages=3106–3115 
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@inproceedingsKarp_Podobas_Jansson_Kenter_Plessl_Schlatter_Markidis_2021, title=High-Performance Spectral Element Methods on Field-Programmable Gate Arraysf: Implementation, Evaluation, and Future Projection, DOI=10.1109/ipdps49936.2021.00116, booktitle=2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), publisher=IEEE, author=Karp, Martin and Podobas, Artur and Jansson, Niclas and Kenter, Tobias and Plessl, Christian and Schlatter, Philipp and Markidis, Stefano, year=2021 
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@inproceedingsKenter_Shambhu_Faghih-Naini_Aizinger_2021, title=Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA, DOI=10.1145/3468267.3470617, booktitle=Proceedings of the Platform for Advanced Scientific Computing Conference (PASC), publisher=ACM, author=Kenter, Tobias and Shambhu, Adesh and Faghih-Naini, Sara and Aizinger, Vadym, year=2021 
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@inbookNickchen_Engels_Lohn_2020, place=Cham, title=Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain, DOI=10.1007/978-3-030-54334-1_4, booktitle=Industrializing Additive Manufacturing, author=Nickchen, Tobias and Engels, Gregor and Lohn, Johannes, year=2020 
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@articleMirhosseini_Kormath Madam Raghupathy_Sahoo_Wiebeler_Chugh_Kühne_2020, title=In silico investigation of Cu(In,Ga)Se<sub>2</sub>-based solar cells, volume=22, DOI=10.1039/d0cp04712k, number=46, journal=Physical Chemistry Chemical Physics, publisher=Royal Society of Chemistry (RSC), author=Mirhosseini, Hossein and Kormath Madam Raghupathy, Ramya and Sahoo, Sudhir K. and Wiebeler, Hendrik and Chugh, Manjusha and Kühne, Thomas D., year=2020, pages=26682–26701 
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@articleBengs_Hüllermeier_2020, title=Multi-Armed Bandits with Censored Consumption of Resources, journal=arXiv:2011.00813, author=Bengs, Viktor and Hüllermeier, Eyke, year=2020 
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arXiv: 2011.00813

@articleKühne_Iannuzzi_Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et al._2020, title=CK: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations, volume=152, DOI=10.1063/5.0007045, number=19194103, journal=The Journal of Chemical Physics, author=Kühne, Thomas and Iannuzzi, Marcella and Ben, Mauro Del and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al., year=2020 
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arXiv: 2003.03868

@inproceedingsLass_Schade_Kühne_Plessl_2020, place=Los Alamitos, CA, USA, title=A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CK, DOI=10.1109/SC41405.2020.00084, booktitle=Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), publisher=IEEE Computer Society, author=Lass, Michael and Schade, Robert and Kühne, Thomas and Plessl, Christian, year=2020, pages=1127–1140 
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arXiv: 2004.10811

@inproceedingsMeyer_Kenter_Plessl_2020, title=Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite, DOI=10.1109/h2rc51942.2020.00007, booktitle=2020 IEEE/ACM International Workshop on Heterogeneous High-performance Reconfigurable Computing (RC), author=Meyer, Marius and Kenter, Tobias and Plessl, Christian, year=2020 
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