1. Limited time only! Sign up for a free 30min personal tutor trial with Chegg Tutors
    Dismiss Notice
Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

Atomic electromagnetic simulator

  1. Jul 2, 2015 #1
    hello
    is there a software that simulates electromagnetic field around atoms, materials?
    to simulate the forces that drive chemical reactions?
    thanks!
     
  2. jcsd
  3. Jul 2, 2015 #2

    Borek

    User Avatar

    Staff: Mentor

    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.
     
  4. Jul 2, 2015 #3
    what do you mean it's not what I think?

    isn't electromagnetic forces that drive a chemical reaction?
     
  5. Jul 2, 2015 #4

    Borek

    User Avatar

    Staff: Mentor

    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.
     
  6. Jul 2, 2015 #5
    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
     
  7. Jul 2, 2015 #6

    Borek

    User Avatar

    Staff: Mentor

    No.
     
Know someone interested in this topic? Share this thread via Reddit, Google+, Twitter, or Facebook




Similar Discussions: Atomic electromagnetic simulator
Loading...