Difference between molecular dynamics and direct simulation Monte Carlo

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The difference can be described as follow: In MD (basic theory), algorithm solve equations of motion in deterministic way. You can have collision, but all of them contribute in state of system. In DSMC, all part same as MD but instead of equation of motion a random collision sampling (randomly collide with particles in specific range). This part implicit relate this algorithm to Monte Carlo algorithm. You can see the this link for complete description of difference. MD is more fundamental than DSMC, because we enter randomness directly into algorithm. Of course, there are some doubt about if we can directly can find statistical properties from MD (see FPU paradox) without direct entrance of randomness or noise.

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Federico Gentile
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Federico Gentile

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Updated on July 23, 2022

Comments

  • Federico Gentile
    Federico Gentile over 1 year

    I just started studying about rarefied gases and I came across the concepts of Molecular Dynamics (MD) and Direct Simulation Monte Carlo (DSMC). My question is: How are these two fields related to each other? Is MD the physical theory and DSMC just a mathematical method to study molecular dynamics?

    • Adi Ro
      Adi Ro almost 8 years
      did you mean Monte Carlo instead of DSMC?
    • Federico Gentile
      Federico Gentile almost 8 years
      no! DSMC stands for direct simulation monte carlo, which is a mathematical approach for gas dynamic problems
    • Adi Ro
      Adi Ro almost 8 years
      can't help than :( sorry.