CK on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
LibreCat: /record/32404
arXiv: 2205.14741

Parallel quantum chemistry on noisy intermediate-scale quantum computers
R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev. Research 4 (2022) 033160.
LibreCat: /record/33226
DOI: 10.1103/PhysRevResearch.4.033160

Roadmap on Electronic Structure Codes in the Exascale Era
V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky, S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi, M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott, T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl, L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P. Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D. Perez, ArXiv:2209.12747 (2022).
LibreCat: /record/46275
arXiv: 2209.12747

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
LibreCat: /record/33684
DOI: 10.1016/j.parco.2022.102920

In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL
M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing (2022).
LibreCat: /record/27364
DOI: 10.1016/j.jpdc.2021.10.007

The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations
J. Menzel, C. Plessl, T. Kenter, ACM Transactions on Reconfigurable Technology and Systems 15 (2021) 1–30.
LibreCat: /record/28099
DOI: 10.1145/3491235

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: /record/46195
DOI: 10.1109/ipdps49936.2021.00116

HighPerMeshes – A Domain-Specific Language for Numerical Algorithms on Unstructured Grids
S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig, T. Kenter, F.-J. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser, F. Wende, in: Euro-Par 2020: Parallel Processing Workshops, Cham, 2021.
LibreCat: /record/21587
DOI: 10.1007/978-3-030-71593-9_15

Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing
A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, Cham, 2021.
LibreCat: /record/29936
DOI: 10.1007/978-3-030-79025-7_21

The HighPerMeshes framework for numerical algorithms on unstructured grids
S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig, T. Kenter, F. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser, F. Wende, Concurrency and Computation: Practice and Experience (2021) e6616.
LibreCat: /record/24788
DOI: 10.1002/cpe.6616

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: /record/29937
DOI: 10.1109/ipdps49936.2021.00116

CK: 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: /record/16277
DOI: 10.1063/5.0007045
arXiv: 2003.03868

A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CK
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: /record/16898
DOI: 10.1109/SC41405.2020.00084
arXiv: 2004.10811

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 (RC), 2020.
LibreCat: /record/21632
DOI: 10.1109/h2rc51942.2020.00007

Accurate Sampling with Noisy Forces from Approximate Computing
V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
LibreCat: /record/12878
DOI: 10.3390/computation8020039
arXiv: 1907.08497

Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL
H. Riebler, G.F. Vaz, T. Kenter, C. Plessl, ACM Trans. Archit. Code Optim. (TACO) 16 (2019) 14:1–14:26.
LibreCat: /record/7689
DOI: 10.1145/3319423

OpenCL Implementation of Cannon's Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs
P. Gorlani, T. Kenter, C. Plessl, in: Proceedings of the International Conference on Field-Programmable Technology (FPT), IEEE, 2019.
LibreCat: /record/15478
DOI: 10.1109/ICFPT47387.2019.00020

A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices
D. Richters, M. Lass, A. Walther, C. Plessl, T. Kühne, Communications in Computational Physics 25 (2019) 564–585.
LibreCat: /record/21
DOI: 10.4208/cicp.OA-2018-0053
arXiv: 1703.02456

FPGAs im Rechenzentrum
M. Platzner, C. Plessl, Informatik Spektrum (2019).
LibreCat: /record/12871
DOI: 10.1007/s00287-019-01187-w

Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots
M. Lass, T. Kühne, C. Plessl, Embedded Systems Letters 10 (2018) 33–36.
LibreCat: /record/20
DOI: 10.1109/LES.2017.2760923
arXiv: 1703.02283