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04/06/2023
A computation of D(9) using FPGA Supercomputing
This preprint makes the claim of having computed the 9^th Dedekind Numbe...
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03/23/2023
Computing and Compressing Electron Repulsion Integrals on FPGAs
The computation of electron repulsion integrals (ERIs) over Gaussian-typ...
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05/29/2022
CP2K on the road to exascale
The CP2K program package, which can be considered as the swiss army knif...
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02/28/2022
Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks
While FPGA accelerator boards and their respective high-level design too...
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10/17/2021
High Level Synthesis Implementation of a Three-dimensional Systolic Array Architecture for Matrix Multiplications on Intel Stratix 10 FPGAs
In this paper, we consider the HLS implementation of a three-dimensional...
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08/27/2021
A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays
The impending termination of Moore's law motivates the search for new fo...
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04/16/2021
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
We push the boundaries of electronic structure-based ab-initio molecular...
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10/26/2020
High-Performance Spectral Element Methods on Field-Programmable Gate Arrays
Improvements in computer systems have historically relied on two well-kn...
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06/15/2020
Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAs
A large share of today's HPC workloads is used for Ab-Initio Molecular D...
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04/23/2020
Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of the HPCChallenge Benchmark Suite
FPGAs have found increasing adoption in data center applications since a...
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04/22/2020
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
Electronic structure calculations based on density-functional theory (DF...
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07/19/2019
Accurate Sampling with Noisy Forces from Approximate Computing
In scientific computing, the acceleration of atomistic computer simulati...
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10/30/2017
A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices
We present the submatrix method, a highly parallelizable method for the ...
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03/07/2017