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

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

Identifier

6858186

Embargo Date

7-18-2022

Version

1

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