2

I had the idea recently that if the interactions between atoms could be calculated, that a large enough computer could simulate biological processes.

What would I need to know to simulate something simple? For example:

If I had 2 carbon atoms some distance apart, how could I simulate the bonding process and visually represent the carbon atoms exchanging electrons and electromagnetically attracting? Something where I can calculate the new positions of the atom and electron fields each timestep and eventually arrive at a bonded position.

  • 3
    Molecular dynamics simulation is an active area of current research, and has been for decades. See for example, here and here. Large supercomputers are necessary to model enough atoms to simulate proteins and other interesting biological molecules. – amateurAstro Oct 24 '19 at 15:12
  • 2
    You're going to need to include quantum mechanics, and you're also going to need to include some mechanism for dissipating energy, or else the carbons will just fly apart again. This strikes me as pretty complicated. –  Oct 24 '19 at 15:58
  • Yeah. Everywhere I look, the notation and ideas are confusing to understand.I am looking for an easy to understand explanation on what 3d interactions might look like for simple atoms. (Strong force and Electromagnetic force) – Zyansheep Oct 24 '19 at 17:33
  • related: https://physics.stackexchange.com/questions/263544/the-exact-mechanism-of-energy-release-durning-bond-formation-on-the-atomic-level –  Oct 24 '19 at 21:28
  • (Strong force and Electromagnetic force) The strong force isn't relevant here. –  Oct 24 '19 at 21:29
  • @BenCrowell Wouldn't you need to simulate the strong force as well to transfer electrons in a way that simulates real life? – Zyansheep Oct 25 '19 at 18:05

0 Answers0