Ab initio quantum chemistry on PC-based parallel supercomputers.
Jon BakerMatt ShirelPublished in: Parallel Comput. (2000)
Keyphrases
- shared memory
- massively parallel
- distributed memory
- parallel programming
- parallel computing
- single processor
- parallel architectures
- parallel processing
- parallel implementation
- molecular dynamics
- high performance computing
- multi core processors
- processing units
- parallel computation
- general purpose
- evolutionary algorithm
- quantum computing
- quantum computation
- quantum inspired
- organic chemistry
- message passing interface
- real time
- high end
- protein structure prediction
- protein folding
- coarse grained
- computing systems
- parallel algorithm
- data sets