Title :
The Computational Materials Repository
Author :
David D. Landis;Jens S. Hummelshøj;Svetlozar Nestorov;Jeff Greeley;Marcin Dułak;Thomas Bligaard;Jens K. Nørskov;Karsten W. Jacobsen
Author_Institution :
Technical University of Denmark
Abstract :
The possibilities for designing new materials based on quantum physics calculations are rapidly growing, but these design efforts lead to a significant increase in the amount of computational data created. The Computational Materials Repository (CMR) addresses this data challenge and provides a software infrastructure that supports the collection, storage, retrieval, analysis, and sharing of data produced by many electronic-structure simulators.
Keywords :
"Quantum physics","Materials processing","Graphical user interfaces","Database systems","Taxonomy"
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/MCSE.2012.16