Accelerating the discovery of advanced materials is essential for human welfare and sustainable,
clean energy. In this paper, we introduce the Materials Project (www. materialsproject. …

We present the Python Materials Genomics (pymatgen) library, a robust, open-source Python
library for materials analysis. A key enabler in high-throughput computational materials …

Although similar integrative tools exist (Supplementary Note 2), no other open platform
shares all KBase’s features, which include the following:(i) comprehensive support for data …

In this paper, we describe the Materials Application Programming Interface (API), a simple,
flexible and efficient interface to programmatically query and interact with the Materials …

Analogous to the way the Human Genome Project advanced an array of biological sciences
by mapping the human genome, the Materials Genome Initiative aims to enhance our …

This paper introduces FireWorks, a workflow software for running high‐throughput calculation
workflows at supercomputing centers. FireWorks has been used to complete over 50 …

We describe a methodology that enables the real-time diagnosis of performance problems
in complex high-performance distributed systems. The methodology includes tools for …

Energy systems and manufacturing processes of the 21st century are becoming increasingly
dynamic and interconnected, which require new capabilities to effectively model and …

Diagnosis and debugging of performance problems on complex distributed systems requires
end-to-end performance information at both the application and system level. We describe …

Scientific facilities such as the Advanced Light Source (ALS) and Joint Genome Institute and
projects such as the Materials Project have an increasing need to capture, store, and …