Scalable, Extensible, and Open Framework for Ground and Excited State Properties of Complex Systems
Sohrab Ismail-Beigi
Glenn Martyna
Laxmikant Kale
10.6084/m9.figshare.4627942.v2
https://figshare.com/articles/journal_contribution/Scalable_Extensible_and_Open_Framework_for_Ground_and_Excited_State_Properties_of_Complex_Systems/4627942
This is a poster contribution for the 2017 NSF SI2 PI meeting by the OpenAtom team.
2017-02-18 04:34:24
density functional theory
GW
molecular dynamics
first principles molecular dynamics
metal organic framework
parallel calculations
charm++
parallel scaling
object based parallel programming
NSF-SI2-2017
Computational Physics
Condensed Matter Modelling and Density Functional Theory
Condensed Matter Physics