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The parity gap in crystal tensor prediction

Polat, Can et al.
arXiv (All) · Papers
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computational-physicsmachine-learningmaterials-sciencequantum-physics
Crystal symmetry dictates whether a physical response tensor must vanish, establishing a direct test for machine learning predictions independent of property calculations. We derive the parity gap, a group-theoretic metric quantifying the piezoelectric tensor freedom permitted by a crystal's proper
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