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Entity
differentiable DFT-based framework
technology1 mentionslast seen Nov 10, 2026
A first-principles inverse-design framework requiring no training data that integrates automatic differentiation into KKR-CPA.
Relationships 5
- differentiable DFT-based frameworkdepends onKorringa-Kohn-Rostoker method93% confidence1 source
- differentiable DFT-based frameworkdepends onreverse-mode automatic differentiation93% confidence1 source
- differentiable DFT-based frameworkdepends oncoherent potential approximation93% confidence1 source
- differentiable DFT-based frameworkapplies tohalf-metal materials discovery85% confidence1 source
- differentiable DFT-based frameworkapplies topermanent-magnet materials discovery85% confidence1 source
Relationship
differentiable DFT-based frameworkdepends onreverse-mode automatic differentiation
93% confidence1 supporting mentions
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Sources 1