TY - EJOU AU - Mai-Duy, N. AU - Tran-Cong, T. AU - Phan-Thien, N. TI - A Numerical Technique Based on Integrated RBFs for the System Evolution in Molecular Dynamics T2 - Computer Modeling in Engineering \& Sciences PY - 2011 VL - 79 IS - 3&4 SN - 1526-1506 AB - 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. KW - molecular dynamics KW - time evolution equation KW - numerical solver KW - radial basis functions DO - 10.3970/cmes.2011.079.223