Geodesic
Multifactorial global search algorithm in the problem of optimizing a reactive force field
Teoretičeskaâ i matematičeskaâ fizika, Tome 187 (2016) no. 1, pp. 177-194 Cet article a éte moissonné depuis la source Math-Net.Ru

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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. 
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M. M. Stepanova; K. S. Shefov; S. Yu. Slavyanov. Multifactorial global search algorithm in the problem of optimizing a reactive force field. Teoretičeskaâ i matematičeskaâ fizika, Tome 187 (2016) no. 1, pp. 177-194. http://geodesic.mathdoc.fr/item/TMF_2016_187_1_a12/

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