Basic Molecular Dynamics

  • Ju Li
Chapter

Abstract

A working definition of molecular dynamics (MD) simulation is technique by which one generates the atomic trajectories of a system of N particles by numerical integration of Newton’s equation of motion, for a specific interatomic potential, with certain initial condition (IC) and boundary condition (BC).

Keywords

Global Error Unit System Jones Potential Local Truncation Error Symplectic Integrator 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© Springer 2005

Authors and Affiliations

  • Ju Li
    • 1
  1. 1.Department of Materials Science and EngineeringOhio State UniversityColumbusUSA

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