I found this figure:

In the following paper:

However, I am skeptical about its correctness, as this paper is not peer-reviewed.

I think:

  1. Red is OK
  2. blue and green have misleading titles. I should make the green “molecular scale”, and blue should be the “sub-molecular scale”
  3. I should remove DFDT from green
  4. I should move Molecular Dynamics (should be abbreviated MD) to green
  5. I should move MC to green
  6. I should add DFT and QMMD (Quantum Mechanics Molecular Dynamics) do blue

Can anyone supply me with a reference (book or article) so that I can study the correct relationships between various techniques of various scales?

  • $\begingroup$ It is a poorly prepared paper. This might be useful for you web.math.princeton.edu/~weinan/papers/weinan_book.pdf. Allen & Tildesley is still going to be one of the best reference books for you though. $\endgroup$
    – B. Kelly
    May 19, 2022 at 19:02
  • $\begingroup$ @B.Kelly, Okay but I was looking for a correct classification of the modeling techniques. $\endgroup$
    – user366312
    May 19, 2022 at 19:15
  • 1
    $\begingroup$ If that is all, then you diagnosed it well enough yourself. You can't really put them in bubbles. You can do Molecular Dynamics and Monte Carlo with DFT, or a force-field, or an isling model etc. QM/MM straddles two bubbles as it is, you can't shove it into molecular or electronic - I would almost forget about bubbles and just learn the techniques and use them as creatively and appropriately as you can. $\endgroup$
    – B. Kelly
    May 19, 2022 at 19:19
  • $\begingroup$ @B.Kelly, If that is all, then you diagnosed it well enough yourself. --- However, in order to use a similar diagram in my writings, I need a reference to be used in the bibliography. $\endgroup$
    – user366312
    May 19, 2022 at 19:31
  • 1
    $\begingroup$ @user366312 do you really need to copy a diagram, rather than create your own? If it were me, I'd make my own and then add something like "Figure adapted from Sharma and Devi [3], using updated classification categories". $\endgroup$ Jun 1, 2022 at 15:55