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density functional theory 1ferroelectric nematic liquid crystals 1materials screening 1molecular hyperpolarizability 1nonlinear optics 1

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cond-mat.mtrl-sci2026

Broken Inversion Symmetry via a Magic Methyl Effect

Calum J Gibb, Jordan Hobbs, Caitlin O Brien +4

Polar liquid crystals - fluid phases in which molecular dipoles organise into ferro- or antiferroelectric states - present a highly constrained molecular design space, where small…