sorry i'm not sure whos comment to reply under - so i'll just stick it here - thanks for the explanations :) I am ignorant of maths, chem, comp science...so my question was posed purely for my own knowledge.
What i described could be likened to raytracing for light...but for chemicals...
If something like this is possible, would there be no use or other limitations to making a "descriptive" simulation. ie. libraries of animated reactions? Or is this what comicjk is refering to?
assuming the kinds of experiments listed in this article will turn out similar results if performed with similar materials?
It's more like, we can do raytracing, but what's really needed here is simulating actual photons scattering, complete with all the quantum effects that involves.
That's a good response. I was trying to figure out how to reply, but didn't like anything I came up with. I would honestly have no idea on how to program a computer to simulate the individual atoms and the activity of their electrons. How to tell the computer when two atoms can bond with the sharing of an electron, how to tell it when a covalent bond can be made, etc. That's probably a lot to do with I barely understand it myself.
Also, I'd assume the the sim would assume all equipment is 100% pollutant free, all ingredients are 100% pure so that there is no adulterants being introduced to the formula. Also a room of perfect humidity and temperature etc.
What i described could be likened to raytracing for light...but for chemicals...
If something like this is possible, would there be no use or other limitations to making a "descriptive" simulation. ie. libraries of animated reactions? Or is this what comicjk is refering to?
assuming the kinds of experiments listed in this article will turn out similar results if performed with similar materials?