SoftwareX· 2015Q2
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
- 27,148citations
- Q2SCImago
- 2015year
Short summary
GROMACS version 5 achieves new performance heights in molecular simulations by implementing multi-level parallelization algorithms across SIMD, multithreading, CPU-GPU acceleration, domain decomposition, and ensemble-level parallelism.
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SpectroscopyChemistry