Simple molecular dynamics
Revision as of 09:37, 23 April 2021 by Miguel Caro (talk | contribs) (Created page with "In this tutorial we will run a very simple MD simulation with '''TurboGAP'''. We will melt a diamond lattice and then quench the liquid down to room temperature to make amorph...")
In this tutorial we will run a very simple MD simulation with TurboGAP. We will melt a diamond lattice and then quench the liquid down to room temperature to make amorphous carbon. In this tutorial we will not care about pressure.
Prerequisites for this tutorial
- A TurboGAP installation
- An ASE installation
