collaborators

1 paper

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…