Title

Collaborative Research: Elements: SciMem: Enabling High Performance Multi-Scale Simulation on Big Memory Platforms

Creators

Yanbao Ma, University of California-Merced
Dong Li, University of California-Merced
Dong Li, University of California-Merced
Liang Shi, University of California-Merced
Zhen Li, Clemson University
Zhen Li, Clemson University

Description

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.

Publication Date

7-18-2022

Publisher

Zenodo

DOI

10.5281/zenodo.6858186

Language

eng

Document Type

Data Set

Recommended Citation

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

https://doi.org/10.5281/zenodo.6858186

Identifier

6858186

Embargo Date

7-18-2022

Version

1