Soft condense matter & quantum mechanics

[markoX]

Hi,
One of the fields of condense matter is molecule dynamics.I want to know does quantum mechanics use in this field?
I think just classical interaction is considered between molecules in molecule dynamics.

Thanks

 

[Gokul43201]

Depending on the nature of the system that is being simulated, the algorithm may be more or less classical. There are definitely cases when you may need to use QM, especially to design the atomic/molecular interaction or potential function.

 

[kanato]

I think typically when people do quantum molecular dynamics they use the Car-Parinello technique. There's a code available here: http://www.cpmd.org/cpmd.html but I've never used it so I can't comment on it.