An MPI-enabled MapReduce framework for molecular dynamics simulation applications.
Shuju BaiEbrahim KhosraviSeung-Jong ParkPublished in: BIBM (2013)
Keyphrases
- molecular dynamics
- high performance computing
- molecular dynamics simulations
- massively parallel
- scientific data
- mapreduce framework
- computing resources
- cloud computing
- parallel algorithm
- protein folding
- computing systems
- fluid flow
- databases
- parallel computing
- grid computing
- message passing
- fault tolerance
- data generation
- computer systems
- data mining techniques
- data analysis
- data mining