- #1
NotASmurf
- 150
- 2
Hey all, I am looking to make a simple atom and molecule simulator for a side project, I know it obviously has no hope of being 100% accurate due to my lack of degree in physics and processing power restrictions.
So far I have made them bond according solely to valence rule (which I know its a simplified model in itself riddled with exceptions, and the molecule shape is currently being determined by finding lowest resistance configuration of the atoms using a simplified model of electrostatic repulsion between the electrons, the program seems to get the shape of some simple hydrocarbons correct,
My final goal is to get it to be able to simulate combustion reactions on a small scale.
this is not my area as I have only a completed high school education of chemistry, my main field is computer science. What other factors could I add to add realism without becoming too computationally expensive? Any advice appreciated.
So far I have made them bond according solely to valence rule (which I know its a simplified model in itself riddled with exceptions, and the molecule shape is currently being determined by finding lowest resistance configuration of the atoms using a simplified model of electrostatic repulsion between the electrons, the program seems to get the shape of some simple hydrocarbons correct,
My final goal is to get it to be able to simulate combustion reactions on a small scale.
this is not my area as I have only a completed high school education of chemistry, my main field is computer science. What other factors could I add to add realism without becoming too computationally expensive? Any advice appreciated.