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326 Publications


2021 | Journal Article | LibreCat-ID: 32240
Diffusion of the carbon dioxide–ethanol mixture in the extended critical region
R.S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, J. Vrabec, Physical Chemistry Chemical Physics 23 (2021) 3106–3115.
LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 29937
High-Performance Spectral Element Methods on Field-Programmable Gate Arrays : Implementation, Evaluation, and Future Projection
M. Karp, A. Podobas, N. Jansson, T. Kenter, C. Plessl, P. Schlatter, S. Markidis, in: 2021 IEEE International Parallel and Distributed Processing Symposium (IPDPS), IEEE, 2021.
LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 46194
Algorithm-hardware co-design of a discontinuous Galerkin shallow-water model for a dataflow architecture on FPGA
T. Kenter, A. Shambhu, S. Faghih-Naini, V. Aizinger, in: Proceedings of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2021.
LibreCat | Files available | DOI | Download (ext.)
 

2020 | Book Chapter | LibreCat-ID: 18789 LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 32246
In silico investigation of Cu(In,Ga)Se2-based solar cells
H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M. Chugh, T.D. Kühne, Physical Chemistry Chemical Physics 22 (2020) 26682–26701.
LibreCat | DOI
 

2020 | Preprint | LibreCat-ID: 32242
Multi-Armed Bandits with Censored Consumption of Resources
V. Bengs, E. Hüllermeier, ArXiv:2011.00813 (2020).
LibreCat | arXiv
 

2020 | Journal Article | LibreCat-ID: 16277 | OA
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
LibreCat | Files available | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 16898
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 21632
Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite
M. Meyer, T. Kenter, C. Plessl, in: 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020.
LibreCat | Files available | DOI | Download (ext.)
 

2020 | Journal Article | LibreCat-ID: 12878 | OA
Accurate Sampling with Noisy Forces from Approximate Computing
V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
LibreCat | DOI | Download (ext.) | arXiv
 

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