Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/54684
Title: A Numerical technique based on integrated RBFs for the system evolution in molecular dynamics
Authors: Mai-Duy, N.
Tran-Cong, T.
Phan-Thien, N. 
Keywords: Molecular dynamics
Numerical solver
Radial basis functions
Time evolution equation
Issue Date: 2011
Source: Mai-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.
Abstract: This 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.
Source Title: CMES - Computer Modeling in Engineering and Sciences
URI: http://scholarbank.nus.edu.sg/handle/10635/54684
ISSN: 15261492
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

Page view(s)

21
checked on Dec 8, 2017

Google ScholarTM

Check


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.