Chemistry 373
October 28, 2002
Steven K. Burger

Genetic Algorithm Applications in Chemistry

The Genetic Algorithm (GA) is a useful tool for global optimization of problems where there isn't a clear metric for the search space that can give a direction of search. The GA has been applied to many computational chemistry problems in various fields. We explore it's use and misuse, for design of novel small organic drugs, and of self-assembly clusters. Also we look at it's application to variational problems of solving the secular equations.

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