Collaborative Research: Elements: SciMem: Enabling High Performance Multi-Scale Simulation on Big Memory Platforms
This is the poster and lightning talk slide for 2022 CSSI PI Meeting. The goal of this project is to create a capability and a software package (named SciMem) that will enable high performance multi-scale simulation on big memory platforms. By designing SciMem as a library, we expect to bring a significant performance improvement for certain larger-scale multi-scale simulations widely applied in the fields of computational chemistry, fluid physics and material science, i.e., quantum mechanical/molecular mechanical-based molecular dynamics (MD) simulations.
Ma, Yanbao; Li, Dong; Li, Dong; Shi, Liang; Li, Zhen; Li, Zhen (2022), "Collaborative Research: Elements: SciMem: Enabling High Performance Multi-Scale Simulation on Big Memory Platforms", Zenodo, doi: 10.5281/zenodo.6858186