Molecular dynamics for charged paricles of ionic electrolytes|
- Date: 2015/07/14 08:57
- Name: A. Chow
- Hi, OpenMX developers and users,
Recently I am starting some tasks about simulating capacitors with electrolytes. I am considering using OpenMX with it. So I need do Molecular dynamics for charged particles of ionic electrolytes, like KOH.
So the main problem is: can I use OpenMX to simulate the ionic particles and then do MD for the system?
If I can, could you please brief the steps and some reference for it?
Thanks very much.