Materials Genome Initiative Forum

2012 MRS Spring Meeting logo

Monday, April 9
2:00 pm – 5:00 pm
Moscone West, Level 3, Room 3001 

The Materials Genome Initiative of the Office of Science and Technology Policy (OSTP) is designed to double the speed with which we discover, develop, and manufacture new materials. This effort, at increasing global competitiveness, is also expected to result in enhanced computational capabilities and data management. As part of this effort, the Materials Project is a collaborative attempt to accelerate materials design through the power of high-throughput ab initio computing. This forum will share the vision of the Materials Project by 1) offering an in-depth look at the tools available, and 2) educating participants on using the Project’s ab initio computed data in their own materials research and design. Both computational and materials scientists will benefit from these tools. Using the supercomputing resources at the National Energy Research Scientific Computing Center, University of Kentucky, Lawrence Berkeley National Laboratory, and Massachusetts Institute of Technology, the Materials Project Team has computed properties of several tens of thousands of crystalline compounds as well as a large number of novel or hypothetical compounds. A series of application tools (“apps”) has been developed to use this basic computed information to predict more complex materials behavior. Apps currently exist for reaction energies, multicomponent phase diagrams, intercalation voltages, structure prediction, and structure analysis; band structure analysis apps are currently under development. This combination of the huge dataset with novel analysis and data-mining tools will help the Materials Project to disseminate the benefits of computational materials science to the larger community of materials researchers, and thereby accelerate innovation in materials research.

Agenda

This forum will be held in an interactive format designed to help participants understand and use the tools of the Materials Project. Keynote speakers will provide an overall vision of the project, including application examples. Other presenters will focus on a particular set of tools and lead a hands-on audience participation demo for using the tools. Internet access will be provided, and participants are encouraged to bring their own laptops to enhance the demonstrations.

  • 2:00 pm - Keynote 1
    The Materials Project, a Materials Genome Approach to Accelerating Materials Design

    Gerbrand Ceder
    Massachusetts Institute of Technology
    Co-founder of The Materials Project
     
  • 2:20 pm - Presentation and Interactive Demo
    Searching for Material Properties Using the Phase Diagram App, Materials Explorer, and Other Apps

    Shyue Ping Ong
    Massachusetts Institute of Technology
    Anubhav Jain
    Lawrence Berkeley National Laboratory

    The Materials Project Core Development Team
     
  • 3:00 pm - Break 

  • 3:20 pm - Keynote 2
    Computational Catalyst Design

    Jens K. Nørskov
    Stanford University
     
  • 4:00 pm - Presentation and Interactive Demo
    Predicting New Materials Using the Substitution Predictor

    Geoffroy Hautier
    Université catholique de Louvain
    The Materials Project Core Development Team
     
  • 4:20 pm - Presentation and Interactive Demo
    Advanced Querying and Developing for the Materials Project

    Michael Kocher
    Lawrence Berkeley National Laboratory
    The Materials Project Core Development Team
     

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