activity
20142021
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 4.5k across the 10 of their papers we have counts for

collaborators

10 papers

cs.AR2021

High Level Synthesis Implementation of a Three-dimensional Systolic Array Architecture for Matrix Multiplications on Intel Stratix 10 FPGAs

Paolo Gorlani, Christian Plessl

In this paper, we consider the HLS implementation of a three-dimensional systolic array architecture for matrix multiplication that targets specific characteristics of Intel Strati…

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…

physics.comp-ph2020★ 7 cited

A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K

Michael Lass, Robert Schade, Thomas D. Kühne +1

Electronic structure calculations based on density-functional theory (DFT) represent a significant part of today's HPC workloads and pose high demands on high-performance computing…

physics.chem-ph2020★ 4.5k cited

CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben +36

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is…

physics.comp-ph2019★ 8 cited

Accurate Sampling with Noisy Forces from Approximate Computing

Varadarajan Rengaraj, Michael Lass, Christian Plessl +1

In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever growing application. A major limitation, however, is that th…

math.NA2017★ 4 cited

Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots

Michael Lass, Thomas D. Kühne, Christian Plessl

Approximate computing has shown to provide new ways to improve performance and power consumption of error-resilient applications. While many of these applications can be found in i…

math.RA2017★ 5 cited

A General Algorithm to Calculate the Inverse Principal -th Root of Symmetric Positive Definite Matrices

Dorothee Richters, Michael Lass, Andrea Walther +2

We address the general mathematical problem of computing the inverse -th root of a given matrix in an efficient way. A new method to construct iteration functions that allow cal…

cs.DC2014★ 2 cited

Easy-to-Use On-the-Fly Binary Program Acceleration on Many-Cores

Marvin Damschen, Christian Plessl

This paper introduces Binary Acceleration At Runtime (BAAR), an easy-to-use on-the-fly binary acceleration mechanism which aims to tackle the problem of enabling existent software…