Login / Signup

The Materials Provenance Store.

Michael J StattBrian A RohrDan GuevarraSantosh K SuramThomas E MorrellJohn M Gregoire
Published in: Scientific data (2023)
We present a database resulting from high throughput experimentation, primarily on metal oxide solid state materials. The central relational database, the Materials Provenance Store (MPS), manages the metadata and experimental provenance from acquisition of raw materials, through synthesis, to a broad range of materials characterization techniques. Given the primary research goal of materials discovery of solar fuels materials, many of the characterization experiments involve electrochemistry, along with optical, structural, and compositional characterizations. The MPS is populated with all information required for executing common data queries, which typically do not involve direct query of raw data. The result is a database file that can be distributed to users so that they can independently execute queries and subsequently download the data of interest. We propose this strategy as an approach to manage the highly heterogeneous and distributed data that arises from materials science experiments, as demonstrated by the management of over 30 million experiments run on over 12 million samples in the present MPS release.
Keyphrases
  • high throughput
  • electronic health record
  • public health
  • small molecule
  • solid state
  • emergency department
  • machine learning
  • high resolution
  • adverse drug
  • health information
  • artificial intelligence