The application of modified high convergence genetic algorithm for approximation of potential energy surface of OCS molecule | Izvestiya vuzov. Fizika. 2025. № 11. DOI: 10.17223/00213411/68/11/23

The application of modified high convergence genetic algorithm for approximation of potential energy surface of OCS molecule

The results of testing a modified high convergence genetic algorithm (HCGA) for approximating the potential energy surface (PES) of the OCS molecule are presented. A comparative analysis is conducted, demonstrating the multiple superiority of HCGA in accuracy for multiple approximations of the OCS PES compared to the Levenberg-Marquardt algorithm.

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Keywords

potential energy surface, machine learning, genetic algorithm, optimization algorithms, iteration algorithms

Authors

Name	Organization	E-mail
Tretyakov Akim K.	Tomsk State University	dr.akim1998@yandex.ru
Nikolaev Roman V.	Tomsk State University	nikolaevroma192@yandex.ru
Kistenev Yury V.	Tomsk State University	yuk@iao.ru
Shipilov Sergey E.	Tomsk State University	s.shipilov@gmail.com

Всего: 4

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