Modeling intermolecular potential of He-F2 dimer from symmetry-adapted perturbation theory using multi-gene genetic programming

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@Article{Amiri:2013:SI,

• author = "Mohammad Amiri and Mahdi Eftekhari and Maryam Dehestani and Azita Tajaddini",
• title = "Modeling intermolecular potential of {He-F2} dimer from symmetry-adapted perturbation theory using multi-gene genetic programming",
• journal = "Scientia Iranica",
• year = "2013",
• volume = "20",
• number = "3",
• pages = "543--548",
• keywords = "genetic algorithms, genetic programming, Potential energy, SAPT, MGGP, Lennard-Jones potential, GPTIPS, Matlab",
• ISSN = "1026-3098",
• URL = "https://core.ac.uk/download/pdf/81997689.pdf",
• URL = "http://www.sciencedirect.com/science/article/pii/S1026309813000758",
• DOI = "doi:10.1016/j.scient.2012.12.040",
• size = "6 pages",
• abstract = "Any molecular dynamical calculation requires a precise knowledge of interaction potential as an input. In an appropriate form, such that the potential, with respect to the coordinates, can be evaluated easily and accurately at arbitrary geometries (in our study parameters for geometry are R and theta), a good potential energy expression can offer the exact intermolecular behaviour of systems. There are many methods to create mathematical expressions for the potential energy. In this study for the first time, we used the Multi-gene Genetic Programming (MGGP) method to generate a potential energy model for the He-F2 system. The MGGP method is one of the most powerful methods used for non-linear regression problems. A dataset of size 714 created by the SAPT 2008 program is used to generate models of MGGP. The results obtained show the power of MGGP for producing an efficient nonlinear regression model, in terms of accuracy and complexity.",

}

Genetic Programming entries for Mohammad Amiri Mehdi Eftekhari Maryam Dehestani Azita Tajaddini

Citations