3 research outputs found
User Applications Driven by the Community Contribution Framework MPContribs in the Materials Project
This work discusses how the MPContribs framework in the Materials Project
(MP) allows user-contributed data to be shown and analyzed alongside the core
MP database. The Materials Project is a searchable database of electronic
structure properties of over 65,000 bulk solid materials that is accessible
through a web-based science-gateway. We describe the motivation for enabling
user contributions to the materials data and present the framework's features
and challenges in the context of two real applications. These use-cases
illustrate how scientific collaborations can build applications with their own
"user-contributed" data using MPContribs. The Nanoporous Materials Explorer
application provides a unique search interface to a novel dataset of hundreds
of thousands of materials, each with tables of user-contributed values related
to material adsorption and density at varying temperature and pressure. The
Unified Theoretical and Experimental x-ray Spectroscopy application discusses a
full workflow for the association, dissemination and combined analyses of
experimental data from the Advanced Light Source with MP's theoretical core
data, using MPContribs tools for data formatting, management and exploration.
The capabilities being developed for these collaborations are serving as the
model for how new materials data can be incorporated into the Materials Project
website with minimal staff overhead while giving powerful tools for data search
and display to the user community.Comment: 12 pages, 5 figures, Proceedings of 10th Gateway Computing
Environments Workshop (2015), to be published in "Concurrency in Computation:
Practice and Experience