Excited state molecular dynamics simulation using mixed QM/MM method
Buddhadev Maiti
bmait... at gmail.com
Sun Nov 2 17:19:20 UTC 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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