The advanced tutorials are not updated as frequently as the regular tutorials.
ReaxFF advanced tutorials¶
- Li-Ion Diffusion Coefficients in cathode materials
- Polymer structures with the bond boost acceleration method
- Realistic-temperature fuel pyrolysis with collective variable-driven hyperdynamics (CVHD)
- Mechanical properties of epoxy polymers
- Training sets for ReaxFF Reparametrization
- Reparametrizing ReaxFF with the CMA-ES optimizer