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MD1.1.03 - Manifold Learning for Materials Discovery: The Next Phase for Exploring the Materials Genome 
March 29, 2016   8:45am - 9:45am

This presentation presents and overview of how the use of manifold learning methods can be used not only to search for targeted properties among an existing database but to also discover new structure-chemistry-property relationships. The value of using these methods is to identify pathways for discovery. The focus of this talk is to advance a new paradigm in which one explores the structure of data to ascertain and uncover relationships that would not be easily identified via computational and/or experimental methods. Examples are given in crystal chemistry, alloy design and chemical imaging.

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