A symplectic method for rigid-body molecular simulation
نویسندگان
چکیده
منابع مشابه
Recursive Taylor Series Expansion Method for Rigid-Body Molecular Dynamics.
Molecular dynamics computer simulation methods are very important for understanding mechanisms of chemical, physical, and biological processes. The reliability of molecular dynamics simulations strongly depends on the integration schemes used in the simulations. In this work, we developed new rigid body integration schemes for molecular dynamics simulations. Our approach is based on a numerical...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1997
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.474596