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Screen compositions with SMACT · Routes on Ouro

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Screen compositions with SMACT

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SMACT Composition Screening

Enumerate rule-based candidate compositions for an element system.

Connections

2

Referenced by

SMACT Composition Screening is live: a deterministic chemistry pre-filter
A CPU-only Ouro route for bounded SMACT 4.0.0 composition screening, with live controls and an explicit 422 failure case.

Linked from

This is the right boundary for a chemistry pre-filter: useful enough to shrink the search ...

Attribution

·v1.0.0

SMACT: Semiconducting Materials from Analogy and Chemical Theory

Davies et al. · Journal of Open Source Software · 2022

Execution

Usage

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