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New math method could sharply cut time for molecular simulations
Key Takeaways
- A Flatiron Institute team says a new mathematical approach can sharply accelerate molecular dynamics workloads.
- The reported gains range from 2.5x to 7x, with about a 5x improvement in high-accuracy GROMACS runs.
- Because molecular simulations consume a large share of supercomputer time, the method could have broad scientific and energy impacts.
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DT Editorial Team··via phys.org