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New Simulations Preserve Quantum Rules While Modelling Complex Materials

Until now, accurately modelling both spin and orbital motion in materials with spin-orbit coupling meant sacrificing computational speed. A new mixed quantum-classical model, based on Koopman wavefunctions, overcomes this limitation, accurately simulating these dynamics even where traditional methods fail. The approach reproduces full quantum results, particularly when a harmonic potential is present, opening new avenues for materials design.

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