米国オバマ政権が推進しているMaterials Genome Initiative(MGI)の中心人物であり、Center for Hierarchical Materials Design(ChiMad)の責任者であるDr. Voorheesに、米国における最新のMaterials Informaticsの現状についてお話いただきます。是非生の声でお聞きください。
マテリアルズ・インフォマティクス:データマイニング、インフラストラクチャー及び合金の設計
Materials data lies at the core of any materials development effort. It provides the foundation for the models that are used to compute the properties and structure of materials, and can be used to identify new compounds with novel properties. A classic example is the central role played by CALPHAD free energy functions in simulations of microstructural evolution in hierarchical materials. Another is identifying compounds with unique properties through mining databases created by density functional calculations. However, challenges remain. In many cases it is unclear how to share data and discover existing databases. While many materials databases exist, their long-term sustainability is often unclear. In addition, there is no community-wide consensus on the proper metadata for a given dataset. I will discuss our efforts in data mining, a proposal for a world-wide federated system of materials databases, an approach to handling large materials data, and methods for creating schemas for materials data.