Evolutionary algorithms can discover molecules with improved nonlinear optical properties by simultaneously optimizing hyperpolarizability ratio, HOMO-LUMO gap, polarizability, and energy per atom.
Kurtz, James J
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Multi-Objective Evolutionary Design of Molecules with Enhanced Nonlinear Optical Properties
Evolutionary algorithms can discover molecules with improved nonlinear optical properties by simultaneously optimizing hyperpolarizability ratio, HOMO-LUMO gap, polarizability, and energy per atom.