PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs.
Sudhir B. KylasaHasan Metin AktulgaAnanth GramaPublished in: J. Comput. Phys. (2014)
Keyphrases
- molecular dynamics
- molecular dynamics simulations
- graphics processing units
- high performance computing
- graphics hardware
- scientific data
- parallel processing
- protein folding
- fluid flow
- parallel computing
- general purpose
- gpu implementation
- parallel implementation
- data generation
- graphics processors
- parallel programming
- database
- massively parallel
- data management
- data collection