Geographic-style maps with a local novelty distance help navigate in the materials space

Abstract With the advent of self-driving labs promising to synthesize large numbers of new materials, new automated tools are required for checking potential duplicates in existing structural databases before a material can be claimed as novel. To avoid duplication, we rigorously define the novelty...

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Bibliographic Details
Main Authors: Daniel Widdowson, Vitaliy Kurlin
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
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Online Access:https://doi.org/10.1038/s41598-025-10672-0
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