coupling-analysis

Here is 1 public repository matching this topic...

rohanplatts / MLIP-Workflows

Useful for: Accelerating computational materials workflows using your choice of MLIP (many accounted for). Includes the acceleration of NEB, Phonon and Bandpath calculation, AND Model benchmarking on all processes.

benchmarking band-structure mep phonon-calculations mlips coupling-analysis

Updated Aug 17, 2026
Python

Add this topic to your repo

To associate your repository with the coupling-analysis topic, visit your repo's landing page and select "manage topics."

Learn more