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Research data infrastructure for high-throughput experimental materials science.

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.

SUBMITTER: Talley KR

PROVIDER: S-EPMC8672147 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature

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Research data infrastructure for high-throughput experimental materials science.

Talley Kevin R KR White Robert R Wunder Nick N Eash Matthew M Schwarting Marcus M Evenson Dave D Perkins John D JD Tumas William W Munch Kristin K Phillips Caleb C Zakutayev Andriy A

Patterns (New York, N.Y.) 20211111 12

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 bes ...[more]

PMID: 34950901

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Research data infrastructure for high-throughput experimental materials science.

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Research data infrastructure for high-throughput experimental materials science.

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