MD-Bench: Engineering the in-core performance of short-range molecular dynamics kernels from state-of-the-art simulation packages.
Rafael Ravedutti Lucio MachadoJan EitzingerJan LaukemannGeorg HagerHarald KöstlerGerhard WelleinPublished in: CoRR (2023)
Keyphrases
- molecular dynamics
- short range
- long range
- molecular dynamics simulations
- wireless communication
- high performance computing
- scientific data
- fluid flow
- protein folding
- mobile peer to peer networks
- wireless networks
- computer vision
- wireless sensor networks
- information extraction
- computer simulation
- conditional random fields