Robert Schade | DeepAI

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Featured Co-authors

Xin Wu
18 publications
Christian Plessl
14 publications
Thomas D. Kühne
8 publications
Tobias Kenter
8 publications
Hans Pabst
7 publications
Michael Lass
6 publications
Alfio Lazzaro
5 publications
Stephan Mohr
3 publications
Ole Schütt
2 publications
Hossam Elgabarty
1 publication
Jürg Hutter
1 publication

research

∙ 03/23/2023

Computing and Compressing Electron Repulsion Integrals on FPGAs

The computation of electron repulsion integrals (ERIs) over Gaussian-typ...

0 Xin Wu, et al. ∙

research

∙ 05/29/2022

CP2K on the road to exascale

The CP2K program package, which can be considered as the swiss army knif...

0 Thomas D. Kühne, et al. ∙

research

∙ 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...

0 Robert Schade, et al. ∙

research

∙ 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...

0 Michael Lass, et al. ∙