Optimal Formulation of Complex Chemical Systems with a Genetic Algorithm

Abstract

We demonstrate a method for optimizing desired functionality in real complex chemical systems, using a genetic algorithm. The chemical systems studied here are mixtures of amphiphiles, which spontaneously exhibit a complex variety of self-assembled molecular aggregations, and the property optimized is turbidity. We also experimentally resolve the fitness landscape in some hyper-planes through the space of possible amphiphile formulations, in order to assess the practicality of our optimization method. Our method shows clear and significant progress after testing only 1 % of the possible amphiphile formulations.

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2010-12-22

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Mark Bedau
Reed College

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