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Systematic prediction of new second-order organic nonlinear optical materials

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Compared to traditional inorganic counterparts, organic nonlinear materials often possess enormous hyperpolarizabilities. To search for new promising organic NLO candidates, various chemical databases have been screened using modeling based on empirical findings, implemented using algorithms from discrete mathematics, and quantum mechanical calculations, followed by experimental studies.

This talk is part of the Surfaces, Microstructure and Fracture Group series.

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