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