QMMM in cp2k

Geng Sun sungen... at gmail.com
Fri Jul 3 05:35:00 UTC 2015

Hello everyone 

    I want to study  supported metal cluster using molecular dynamics.

    Here, the substrate is represented by a slab which is metal oxide, and 
the metal cluster is put on the surface of the slab.

    I want to use the QMMM to reduce the computational cost by  using the 
force field to describe the interaction of  the bottom layers of slab 
model. The upper layers of slab
    and the metal atoms are left for DFT.

   Is that possible for CP2K to do the QMMM simulation in such case? If so, 
what is the most relevant parameters. 

   Thanks in advance !

   Geng Sun
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