This preprint makes the claim of having computed the 9^th Dedekind
Numbe...
The computation of electron repulsion integrals (ERIs) over Gaussian-typ...
The CP2K program package, which can be considered as the swiss army knif...
While FPGA accelerator boards and their respective high-level design too...
In this paper, we consider the HLS implementation of a three-dimensional...
The impending termination of Moore's law motivates the search for new fo...
We push the boundaries of electronic structure-based ab-initio
molecular...
Improvements in computer systems have historically relied on two well-kn...
A large share of today's HPC workloads is used for Ab-Initio Molecular
D...
FPGAs have found increasing adoption in data center applications since a...
Electronic structure calculations based on density-functional theory (DF...
In scientific computing, the acceleration of atomistic computer simulati...
We present the submatrix method, a highly parallelizable method for the
...
Approximate computing has shown to provide new ways to improve performan...