In the spirit of Materials Genome Initiative, the Materials Project (http://www.materialsproject.org) aims to leverage the information age for materials design. The goal of the Materials Project is to accelerate materials discovery and education through advanced scientific computing and innovative design methods, scale those computations to inorganic compounds and beyond, and disseminate that information and design tools to the larger materials community. The Project was launched online in October 2011 and since then we have computed and imported &gt; 50,000 inorganic compounds into the database, which can now be freely accessed and searched over through the web interface for structural properties, local environments and coordination, XRD, electronic structure, battery properties, reaction energies and more. More than 9,000 users are currently registered with the Project and an increasing number of publications refer to its capabilities.<br/><br/>In this talk we will describe how the Project’s open source algorithms and data can be freely accessed as well as highlight some of the materials design being pursued in-house within the Center. Among these examples are innovative novel materials and electrolytes in energy storage and energy production, materials for photocatalysis, and thermoelectrics.<br/><br/>

Materials project for accelerated materials design

249th National Meeting (2015)

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