Research Data Infrastructure for High-Throughput Experimental Materials Science

Kevin Talley, Robert White, Nick Wunder, Matthew Eash, Marcus Schwarting, Dave Evenson, John Perkins, William Tumas, Kristin Munch, Caleb Phillips, Andriy Zakutayev

Research output: Contribution to journalArticlepeer-review

21 Scopus Citations

Abstract

The High-Throughput Experimental Materials Database (HTEM-DB, htem.nrel.gov) is a repository of inorganic thin-film materials data collected during combinatorial experiments at the National Renewable Energy Laboratory (NREL). This data asset is enabled by NREL's Research Data Infrastructure (RDI), a set of custom data tools that collect, process, and store experimental data and metadata. Here, we describe the experimental data flow from the RDI to the HTEM-DB to illustrate the strategies and best practices currently used for materials data at NREL. Integration of the data tools with experimental instruments establishes a data communication pipeline between experimental researchers and data scientists. This work motivates the creation of similar workflows at other institutions to aggregate valuable data and increase their usefulness for future machine learning studies. In turn, such data-driven studies can greatly accelerate the pace of discovery and design in the materials science domain.

Original languageAmerican English
Article number100373
Number of pages10
JournalPatterns
Volume2
Issue number12
DOIs
StatePublished - 10 Dec 2021

Bibliographical note

Publisher Copyright:
© 2021 The Authors

NREL Publication Number

  • NREL/JA-5K00-80850

Keywords

  • data
  • DSML 2: Proof-of-concept: Data science output has been formulated, implemented, and tested for one domain/problem
  • experimental
  • high-throughput
  • materials
  • metadata
  • workflow

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