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GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP.
Nikolay Kondratyuk
Vsevolod P. Nikolskiy
Daniil Pavlov
Vladimir V. Stegailov
Published in:
Int. J. High Perform. Comput. Appl. (2021)
Keyphrases
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gpu accelerated
molecular dynamics
high performance computing
finite element
real time
software systems
computer systems
massively parallel
software development
scientific data
protein folding
fluid flow
molecular dynamics simulations
software projects
computing systems