molecular dynamics on massively parallel multi-core supercomputers.

Tobias Klöffel Gerald Mathias Bernd Meyer

Published in: Comput. Phys. Commun. (2021)

Keyphrases

massively parallel
high performance computing
molecular dynamics
parallel computing
fine grained
molecular dynamics simulations
parallel architectures
message passing interface
parallel machines
blue gene
scientific data
computing systems
parallel programming
protein folding