Atomic electromagnetic simulator

[fysik]

hello
is there a software that simulates electromagnetic field around atoms, materials?
to simulate the forces that drive chemical reactions?
thanks!

 

[Borek]

Probably not the way you think. There are programs for molecular modeling like

https://en.wikipedia.org/wiki/Spartan_(software)

Please note it is not about "electromagnetic field around atoms, materials", it is about quantum mechanics. QM is what describes behavior of atoms and molecules.

And this is not exactly about predicting possible reactions, although these things are never far away from molecular modeling.

 

[fysik]

what do you mean it's not what I think?

isn't electromagnetic forces that drive a chemical reaction?

 

[Borek]

isn't electromagnetic forces that drive a chemical reaction?

I wouldn't say that.

Stability of the molecule can be explained using pure electrostatics. However, to do so, you have to calculate first what is the charge distribution. To do so, you have to solve Shroedinger's equation. You can't explain what is going on without quantum mechanics, which are only part of the problem.

 

[fysik]

but in most cases quantum mechanics are simplified into simple mechanics when we are doing simulations, or at least you can solve quantum mechanics equations to simulate, but the principle of the simulation is regular mechanics

 

[Borek]

in most cases quantum mechanics are simplified into simple mechanics

No.