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first-principles code

technology1 mentionslast seen Sep 18, 2026

Software for computing material properties from first principles.

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first-principles codeapplies toinorganic materials discovery75% confidence1 source

first-principles code

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first-principles codeapplies toinorganic materials discovery

75% confidence1 supporting mentions

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preprintarXivSep 17, 2026The Roadmap of Inorganic Computational Materials Databases: Capabilities, Credibility, Coverage, and the Open Frontier
for nearly every property of technological interest, at least one production-grade code can compute it