[CP2K-user] Solvation in Metals

Dev Rana dev.... at gmail.com
Thu Aug 6 14:39:18 UTC 2020


What might be the best method of determining solvation parameters for a 
metal solvent? i.e. Aluminum? Ideally, I'd want to use COSMO, however how 
can one tweak the Andreussi or F-G models to yield similar results?

Best Regards,
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