Using ML force fields in CP2K QM/MM
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Somayeh Ahmadkhani
Sep 26, 2025, 4:55:12 AMSep 26
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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
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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