Excited state molecular dynamics simulation using mixed QM/MM method

Buddhadev Maiti bmait... at gmail.com
Sun Nov 2 18:19:20 CET 2014


 

Dear Sir / Madam,

I am planning to run excited state molecular dynamics simulation using 
mixed QM/MM method by CP2K. I just wounded to know if there is any 
implementation of TDDFT/MM method and it will be great help for me.  If 
not, could you please suggest me some other method which is already 
implemented in CP2K to run the excited state molecular dynamics simulation 
using mixed QM/MM method. Could you please reply me and it will be great 
help for me.

Thank yo very much for your time and help,

Have a nice day,

Maiti 
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