activity
20142023
most citedls1 mardyn: The massively parallel molecular dynamics code for large systems

43 citations · 49 across the 5 of their papers we have counts for

collaborators

5 papers

math.NA2023

Efficient and Scalable Kernel Matrix Approximations using Hierarchical Decomposition

Keerthi Gaddameedi, Severin Reiz, Tobias Neckel +1

With the emergence of Artificial Intelligence, numerical algorithms are moving towards more approximate approaches. For methods such as PCA or diffusion maps, it is necessary to co…

stat.CO2023

Multilevel Monte Carlo estimators for derivative-free optimization under uncertainty

Friedrich Menhorn, Gianluca Geraci, D. Thomas Seidl +3

Optimization is a key tool for scientific and engineering applications, however, in the presence of models affected by uncertainty, the optimization formulation needs to be extende…

cs.LG2022

Neural Nets with a Newton Conjugate Gradient Method on Multiple GPUs

Severin Reiz, Tobias Neckel, Hans-Joachim Bungartz

Training deep neural networks consumes increasing computational resource shares in many compute centers. Often, a brute force approach to obtain hyperparameter values is employed.…

astro-ph.CO20176 cited

Enabling Radiative Transfer on AMR grids in CRASH

N. Hariharan, L. Graziani, B. Ciardi +2

We introduce CRASH-AMR, a new version of the cosmological Radiative Transfer (RT) code CRASH, enabled to use refined grids. This new feature allows us to attain higher resolution i…

cs.CE201443 cited

ls1 mardyn: The massively parallel molecular dynamics code for large systems

Christoph Niethammer, Stefan Becker, Martin Bernreuther +9

The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and curren…