Genetic algorithm optimization of point charges in force field development: Challenges and insights

Journal of Physical Chemistry A

Volumn 119, Issue 8, 2015, Pages 1422-1434

  Ivanov, Maxim V ^a   Talipov, Marat R ^a   Timerghazin, Qadir K ^a  

^a Marquette University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ATOMS; COVARIANCE MATRIX; EIGENVALUES AND EIGENFUNCTIONS; EVOLUTIONARY ALGORITHMS; OPTIMIZATION;

EVOLUTIONARY OPTIMIZATIONS; EVOLUTIONARY TECHNIQUES; FORCE FIELD DEVELOPMENT; FORCE FIELD PARAMETERS; GENETIC ALGORITHM (GAS); GENETIC-ALGORITHM OPTIMIZATIONS; LEAST SQUARES FITTING; MOLECULAR ELECTROSTATIC POTENTIALS;

GENETIC ALGORITHMS;

ALGORITHM; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; LEAST SQUARE ANALYSIS; STATIC ELECTRICITY;

ALGORITHMS; LEAST-SQUARES ANALYSIS; MODELS, GENETIC; MODELS, MOLECULAR; STATIC ELECTRICITY;

EID: 84923927475     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b00218     Document Type: Article

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