activity
20202025
most citedTowards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms

60 citations · 85 across the 11 of their papers we have counts for

collaborators

11 papers

cs.DC2025★ 1 cited

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…

cs.DC2024

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…

cs.DM2023★ 7 cited

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…

cs.AR2023★ 1 cited

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…

physics.comp-ph2022★ 2 cited

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…

cs.DC2022★ 1 cited

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…

cs.DC2021★ 9 cited

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…

physics.comp-ph2021★ 60 cited

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…

cs.DC2020★ 1 cited

High-Performance Spectral Element Methods on Field-Programmable Gate Arrays

Martin Karp, Artur Podobas, Niclas Jansson +4

Improvements in computer systems have historically relied on two well-known observations: Moore's law and Dennard's scaling. Today, both these observations are ending, forcing comp…

cs.DC2020

Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAs

Arjun Ramaswami, Tobias Kenter, Thomas D. Kühne +1

A large share of today's HPC workloads is used for Ab-Initio Molecular Dynamics (AIMD) simulations, where the interatomic forces are computed on-the-fly by means of accurate electr…

cs.DC2020★ 3 cited

Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of the HPCChallenge Benchmark Suite

Marius Meyer, Tobias Kenter, Christian Plessl

FPGAs have found increasing adoption in data center applications since a new generation of high-level tools have become available which noticeably reduce development time for FPGA…