Multifactorial global search algorithm in the problem of optimizing a reactive force field
- Авторы: Stepanova M.M.1, Shefov K.S.1,2, Slavyanov S.Y.1
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Учреждения:
- St. Petersburg State University
- Oracle Development SPB
- Выпуск: Том 187, № 1 (2016)
- Страницы: 603-617
- Раздел: Article
- URL: https://journals.rcsi.science/0040-5779/article/view/170560
- DOI: https://doi.org/10.1134/S0040577916040139
- ID: 170560
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Аннотация
We present a new multifactorial global search algorithm (MGSA) and check the operability of the algorithm on the Michalewicz and Rastrigin functions. We discuss the choice of an objective function and additional search criteria in the context of the problem of reactive force field (ReaxFF) optimization and study the ranking of the ReaxFF parameters together with their impact on the objective function.
Об авторах
M. Stepanova
St. Petersburg State University
Автор, ответственный за переписку.
Email: mstep@mms.nw.ru
Россия, St. Petersburg
K. Shefov
St. Petersburg State University; Oracle Development SPB
Email: mstep@mms.nw.ru
Россия, St. Petersburg; St. Petersburg
S. Slavyanov
St. Petersburg State University
Email: mstep@mms.nw.ru
Россия, St. Petersburg
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