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|Title:||Electro-active ternary copolymer design using genetic algorithm|
Bakhshi, A K
|Keywords:||Theoretical chemistry;Polymers;Conducting polymers;Copolymers;Electronic properties;Genetic algorithm|
|Abstract:||Genetic algorithm has been applied for obtaining the optimal solution for a copolymer with minimum band gap and maximum delocalization. The results for a case study of ternary copolymers belonging to type II staggered class are presented. A comparative study of the results obtained using two alternative definitions of fitness function has also been made. It is seen that the ionization potential of the homopolymers is the determining factor in the percentage ratios of the optimum solution. The results obtained by genetic algorithm constitute an informative set which the designer of conducting polymers can use for a more informed decision.|
|Appears in Collections:||IJC-A Vol.50A(01) [January 2011]|
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