Object Storage, Persistent Memory, and Data Infrastructure for HPC Materials Informatics

10/06/2022

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by   Stephanie R Taylor, et al.

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Speculation is provided on how infrastructure choices fit into the materials data ecosystem. Special attention is paid to object storage, the Intel DAOS API, storage-class memory (SCM), and the prospect of non-von Neumann computing. Lastly, the hypothesized implications of data infrastructure choices on a sample materials informatics problem is discussed: computational materials discovery of phase-change materials with properties tailored for phase-change memory (PCM). The motivation for selecting PCM as a sample materials informatics case study comes from its relevance to emerging SCM hardware.