74 citations · 180 across the 16 of their papers we have counts for
17 papers
SUSpMV: A High Frequency Sparse Matrix Vector Multiplier on HBM Enabled FPGA written in SUS
Lennart Van Hirtum, David Volz, Andreas Koch +1
SUSpMV is a Sparse Matrix Vector multiplication (SpMV) accelerator written in the upcoming HDL SUS. By leveraging SUS's unique latency counting and inference mechanism, SUSpMV coul…
Statistical Estimation of higher Dedekind Numbers
Alex Fihman, Lennart Van Hirtum, Christian Plessl
We provide highly accurate estimations of the 10th through 15th Dedekind Numbers, to a precision of 4 digits for , to 2 digits for . These estimates were obtained usi…
Otus Supercomputer
Sadaf Ehtesabi, Manoar Hossain, Tobias Kenter +12
Otus is a high-performance computing cluster that was launched in 2025 and is operated by the Paderborn Center for Parallel Computing (PC2) at Paderborn University in Germany. The…
Benchmarking semi-empirical quantum chemical methods on liquid water
Xin Wu, Hossam Elgabarty, Vahideh Alizadeh +6
Stimulated by the renewed interest and recent developments in semi-empirical quantum chemical (SQC) methods for noncovalent interactions, we examine the properties of liquid water…
PHOENIX -- Paderborn highly optimized and energy efficient solver for two-dimensional nonlinear Schrödinger equations with integrated extensions
Jan Wingenbach, David Bauch, Xuekai Ma +3
In this work, we introduce PHOENIX, a highly optimized explicit open-source solver for two-dimensional nonlinear Schrödinger equations with extensions. The nonlinear Schrödinger eq…
Optimizing Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL
Marius Meyer, Tobias Kenter, Lucian Petrica +3
Most FPGA boards in the HPC domain are well-suited for parallel scaling because of the direct integration of versatile and high-throughput network ports. However, the utilization o…
Scalable quantum detector tomography by high-performance computing
Timon Schapeler, Robert Schade, Michael Lass +2
At large scales, quantum systems may become advantageous over their classical counterparts at performing certain tasks. Developing tools to analyse these systems at the relevant sc…
A computation of D(9) using FPGA Supercomputing
Lennart Van Hirtum, Patrick De Causmaecker, Jens Goemaere +4
This preprint makes the claim of having computed the Dedekind Number. This was done by building an efficient FPGA Accelerator for the core operation of the process, and pa…
Computing and Compressing Electron Repulsion Integrals on FPGAs
Xin Wu, Tobias Kenter, Robert Schade +2
The computation of electron repulsion integrals (ERIs) over Gaussian-type orbitals (GTOs) is a challenging problem in quantum-mechanics-based atomistic simulations. In practical si…
Roadmap on Electronic Structure Codes in the Exascale Era
Vikram Gavini, Stefano Baroni, Volker Blum +38
Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state…
Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics
Robert Schade, Tobias Kenter, Hossam Elgabarty +3
The non-orthogonal local submatrix method applied to electronic-structure based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32 mixed floating-point arit…
CP2K on the road to exascale
Thomas D. Kühne, Christian Plessl, Robert Schade +1
The CP2K program package, which can be considered as the swiss army knife of atomistic simulations, is presented with a special emphasis on ab-initio molecular dynamics using the s…
Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks
Marius Meyer, Tobias Kenter, Christian Plessl
While FPGA accelerator boards and their respective high-level design tools are maturing, there is still a lack of multi-FPGA applications, libraries, and not least, benchmarks and…
Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers
Robert Schade, Carsten Bauer, Konstantin Tamoev +3
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach…
A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays
Martin Karp, Artur Podobas, Tobias Kenter +4
The impending termination of Moore's law motivates the search for new forms of computing to continue the performance scaling we have grown accustomed to. Among the many emerging Po…
Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
Robert Schade, Tobias Kenter, Hossam Elgabarty +8
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical…
A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices
Michael Lass, Stephan Mohr, Hendrik Wiebeler +2
We present the submatrix method, a highly parallelizable method for the approximate calculation of inverse p-th roots of large sparse symmetric matrices which are required in diffe…