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Beyond theory-driven discovery: introducing hot random search and datum-derived structures

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Peer-reviewed

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Abstract

Ephemeral Data-Derived Potential (EDDP)-driven long high-temperature anneals combined with AIRSS, termed as hot-AIRSS, enable the exploration of low-energy configurations of complex materials.

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Journal Title

Faraday Discussions

Conference Name

Journal ISSN

1359-6640
1364-5498

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Publisher

Royal Society of Chemistry (RSC)

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Except where otherwised noted, this item's license is described as https://creativecommons.org/licenses/by/3.0/