%0 Journal Article %A Ismail-Beigi, Sohrab %A Martyna, Glenn %A Kale, Laxmikant %D 2017 %T Scalable, Extensible, and Open Framework for Ground and Excited State Properties of Complex Systems %U https://figshare.com/articles/journal_contribution/Scalable_Extensible_and_Open_Framework_for_Ground_and_Excited_State_Properties_of_Complex_Systems/4627942 %R 10.6084/m9.figshare.4627942.v2 %2 https://ndownloader.figshare.com/files/7615714 %K density functional theory %K GW %K molecular dynamics %K first principles molecular dynamics %K metal organic framework %K parallel calculations %K charm++ %K parallel scaling %K object based parallel programming %K NSF-SI2-2017 %K Computational Physics %K Condensed Matter Modelling and Density Functional Theory %K Condensed Matter Physics %X This is a poster contribution for the 2017 NSF SI2 PI meeting by the OpenAtom team. %I figshare