Standard

Multifactorial global search algorithm in the problem of optimizing a reactive force field. / Stepanova, M. M.; Shefov, K. S.; Slavyanov, S. Yu.

в: Theoretical and Mathematical Physics, Том 187, № 1, 2016, стр. 603–617.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Stepanova, MM, Shefov, KS & Slavyanov, SY 2016, 'Multifactorial global search algorithm in the problem of optimizing a reactive force field', Theoretical and Mathematical Physics, Том. 187, № 1, стр. 603–617. https://doi.org/DOI: 10.4213/tmf9159

APA

Stepanova, M. M., Shefov, K. S., & Slavyanov, S. Y. (2016). Multifactorial global search algorithm in the problem of optimizing a reactive force field. Theoretical and Mathematical Physics, 187(1), 603–617. https://doi.org/DOI: 10.4213/tmf9159

Vancouver

Stepanova MM, Shefov KS, Slavyanov SY. Multifactorial global search algorithm in the problem of optimizing a reactive force field. Theoretical and Mathematical Physics. 2016;187(1):603–617. https://doi.org/DOI: 10.4213/tmf9159

Author

Stepanova, M. M. ; Shefov, K. S. ; Slavyanov, S. Yu. / Multifactorial global search algorithm in the problem of optimizing a reactive force field. в: Theoretical and Mathematical Physics. 2016 ; Том 187, № 1. стр. 603–617.

BibTeX

@article{7316d7c0e8ac4160b83c9268a60f8bd7,
title = "Multifactorial global search algorithm in the problem of optimizing a reactive force field",
abstract = "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.",
keywords = "molecular dynamics, interaction potential, chemically reactive system, reactive force field, parameter optimization, global extremum search",
author = "Stepanova, {M. M.} and Shefov, {K. S.} and Slavyanov, {S. Yu.}",
year = "2016",
doi = "DOI: 10.4213/tmf9159",
language = "English",
volume = "187",
pages = "603–617",
journal = "Theoretical and Mathematical Physics (Russian Federation)",
issn = "0040-5779",
publisher = "Springer Nature",
number = "1",

}

RIS

TY - JOUR

T1 - Multifactorial global search algorithm in the problem of optimizing a reactive force field

AU - Stepanova, M. M.

AU - Shefov, K. S.

AU - Slavyanov, S. Yu.

PY - 2016

Y1 - 2016

N2 - 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.

AB - 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.

KW - molecular dynamics

KW - interaction potential

KW - chemically reactive system

KW - reactive force field

KW - parameter optimization

KW - global extremum search

U2 - DOI: 10.4213/tmf9159

DO - DOI: 10.4213/tmf9159

M3 - Article

VL - 187

SP - 603

EP - 617

JO - Theoretical and Mathematical Physics (Russian Federation)

JF - Theoretical and Mathematical Physics (Russian Federation)

SN - 0040-5779

IS - 1

ER -

ID: 7564340