Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database

Like many other scientific disciplines, materials science is seeing many advances thanks to advanced computer systems that records large volumes of data and analyze it with speed. However, this data capture, analysis, and sharing has its challenges in material science, requiring more sophisticated systems. Hatakeyama-Sato et al. highlight this fact with their materials informatics software platform that “losslessly describes the relationships of structures, properties, and processes as graphs in electronic laboratory notebooks (ELNs).” After describing the impetus for developing the platform, the authors explain its use within the context of materials informatics using a specific use case involving hundreds of experiments related to organic superionic glassy conductors. The authors include the methodology for those experiments and a wealth of supplementary information, while concluding their platform enables direct data sharing of material research, which “will improve scientific communication and accelerate integration of material knowledge.”

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