Multiscale Approximation with Graphical Processing Units for Multiplicative Speedup in Molecular Dynamics
Author:
Affiliation:
1. Department of Computer Science, Virginia Tech, Blacksburg, VA
Publisher
ACM
Link
https://dl.acm.org/doi/pdf/10.1145/2975167.2975214
Reference33 articles.
1. Molecular simulations of protein dynamics: new windows on mechanisms in biology
2. Molecular dynamics and protein function
3. Long-timescale molecular dynamics simulations of protein structure and function
4. Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities
5. Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer
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