Optimized Verlet-like algorithms for molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Optimized Verlet-like algorithms for molecular dynamics simulations.
Explicit velocity- and position-Verlet-like algorithms of the second order are proposed to integrate the equations of motion in many-body systems. The algorithms are derived on the basis of an extended decomposition scheme at the presence of a free parameter. The nonzero value for this parameter is obtained by reducing the influence of truncated terms to a minimum. As a result, the proposed alg...
متن کاملAlgorithms for Molecular Dynamics Simulations
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2002
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.65.056706