Author

Varadarajan Rengaraj

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Preprint Jul 2026

MANDALA: An E(3)-Equivariant Graph Neural Network Framework for Learning Electronic-Structure Operators with Observable Guidance

Mandala is a modular software framework for learning block-sparse electronic-structure matrices with E(3)-equivariant graph neural networks that connects electronic-structure learning and observable-guided modeling while retaining a representation tied to quantum-mechanical operators rather than only scalar or vector t...

B. Brzoza, Wiktoria Szopa, Z. Elabid et al. · 0 citations