Parallelisation of Nonequilibrium Molecular Dynamics Code for Polymer Melts Using OpenMP.
Zhongwu ZhouBilly D. ToddPeter J. DaivisPublished in: International Conference on Computational Science (2003)
Keyphrases
- molecular dynamics
- high performance computing
- molecular dynamics simulations
- shared memory
- scientific data
- computing systems
- massively parallel
- parallel computing
- fault tolerance
- source code
- computing resources
- energy efficiency
- grid computing
- protein folding
- computing environments
- digital libraries
- information systems
- state space