Charge optimized many-body potentials
Jeronimo Juan
jero... at gmail.com
Tue Apr 4 16:26:20 UTC 2017
Dear users and developers,
i'm interested in copper and copper oxides surface catalysts. I'm doing QS
simultations of some copper oxide slabs, but i want to do QMMM with some of
them in order to improve the calculation speed. I was looking for a
forcefield for periodic copper oxide and i have found a charge optimzed
many body potential for LAMMPS code. I was wondering if it is possible to
use this potential into cp2k.? (i have little idea of cp2k MM simulations)
Thank you in advance,
Jero
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