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Archival Research01:40

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The Materials Provenance Store.

Michael J Statt1, Brian A Rohr2, Dan Guevarra3,4

  • 1Modelyst LLC, Palo Alto, CA, 94306, USA. michael.statt@modelyst.io.

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Summary
This summary is machine-generated.

We developed the Materials Provenance Store (MPS), a database managing high-throughput experimental data for materials discovery. This system efficiently handles over 30 million experiments on 12 million samples, facilitating independent data querying and download for researchers.

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Area of Science:

  • Materials Science
  • Solid State Chemistry
  • Computational Materials Science

Background:

  • High-throughput experimentation generates vast, heterogeneous data.
  • Managing experimental provenance is crucial for reproducibility and discovery.
  • Existing data management strategies struggle with materials science complexity.

Purpose of the Study:

  • To present the Materials Provenance Store (MPS) database.
  • To demonstrate a strategy for managing complex, distributed materials science data.
  • To facilitate data accessibility for materials discovery, particularly for solar fuels.

Main Methods:

  • Developed a central relational database (MPS) for metadata and experimental provenance.
  • Integrated data from raw material acquisition, synthesis, and characterization.
  • Designed the database for efficient querying and data distribution, excluding raw data access.

Main Results:

  • The MPS successfully manages metadata and provenance for over 30 million experiments.
  • The database covers over 12 million unique samples.
  • A distributable database file enables independent user queries and data downloads.

Conclusions:

  • The MPS provides an effective approach for managing heterogeneous materials science data.
  • This data management strategy supports efficient materials discovery.
  • The system enhances research reproducibility and collaboration through accessible experimental data.