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SEDACS: A Scalable Framework for Complex Chemistry Simulations

physics.chem-ph · 2026-06-02 · unverdicted · novelty 4.0

SEDACS is a modular Python package for graph-based linear-scaling QMD simulations that interfaces with external electronic-structure solvers and demonstrates stable runs on systems of tens of thousands of atoms.

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  • SEDACS: A Scalable Framework for Complex Chemistry Simulations physics.chem-ph · 2026-06-02 · unverdicted · none · ref 58

    SEDACS is a modular Python package for graph-based linear-scaling QMD simulations that interfaces with external electronic-structure solvers and demonstrates stable runs on systems of tens of thousands of atoms.