Background: Over the last four decades, tremendous growth has been witnessed
in the field of electrically conducting polymers. A great deal of theoretical and empirical efforts
have been made to achieve multifunctional conducting polymeric structures. However,
the major challenge in this field is achieving the minimum band gap value which governs
various electronic and optoelectronic properties of the structure.
Objective: Artificial optimization viz., metaheuristic algorithms have been clubbed with the
polymer problem to investigate the electronic properties of copolymers.
Method: Band structures of different homopolymers obtained from ab-initio
Hartree-Fock crystal orbital method have been used as input to obtain the electronic properties
of copolymers using genetic algorithm, ant colony optimization and particle swarm
Result: Nature-based computing methods employed for tailoring intrinsically conducting
copolymers correspond to optimal electronic properties.
Conclusion: This computational cloning approach provides a cost-effective and potent
passage for taking forward optimized theoretical solutions to synthetic environment.