##  [Molecular Dynamics Simulation](/index.php/molecular-dynamics-simulation) 

  ##  [Molecular Dynamics Simulation](https://natural.quantumdictionary.io/molecular-dynamics-simulation-0) 

  

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**Natural & Formal Sciences Dictionary**

 







 

 

 

 



 

 

 

 

Definition

A numerical technique that propagates the positions and momenta of interacting particles by integrating equations of motion (classical or ab initio) to model the time evolution of many-body systems and to sample dynamical and thermodynamic properties.