[CP2K-user] [CP2K:21860] Using ML force fields in CP2K QM/MM
Somayeh Ahmadkhani
so.ahmadkhani at gmail.com
Fri Sep 26 08:55:11 UTC 2025
Dear all,
I’d like to couple a machine-learning force field (ML-FF) with CP2K for a
MD simulation. Could anyone advise on the recommended workflow or share
examples/documentation?
Best regards,
Somay
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