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Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/54684
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dc.titleA Numerical technique based on integrated RBFs for the system evolution in molecular dynamics
dc.contributor.authorMai-Duy, N.
dc.contributor.authorTran-Cong, T.
dc.contributor.authorPhan-Thien, N.
dc.date.accessioned2014-06-16T09:33:42Z
dc.date.available2014-06-16T09:33:42Z
dc.date.issued2011
dc.identifier.citationMai-Duy, N.,Tran-Cong, T.,Phan-Thien, N. (2011). A Numerical technique based on integrated RBFs for the system evolution in molecular dynamics. CMES - Computer Modeling in Engineering and Sciences 79 (3-4) : 223-236. ScholarBank@NUS Repository.
dc.identifier.issn15261492
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/54684
dc.description.abstractThis paper presents a new numerical technique for solving the evolution equations in molecular dynamics (MD). The variation of the MD system is represented by radial-basis-function (RBF) equations which are constructed using integrated multiquadric basis functions and point collocation. The proposed technique requires the evaluation of forces once per time step. Several examples are given to demonstrate the attractiveness of the present implementation. Copyright © 2011 Tech Science Press.
dc.sourceScopus
dc.subjectMolecular dynamics
dc.subjectNumerical solver
dc.subjectRadial basis functions
dc.subjectTime evolution equation
dc.typeArticle
dc.contributor.departmentMECHANICAL ENGINEERING
dc.description.sourcetitleCMES - Computer Modeling in Engineering and Sciences
dc.description.volume79
dc.description.issue3-4
dc.description.page223-236
dc.identifier.isiutNOT_IN_WOS
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