[CP2K-user] [CP2K:21432] Monte Carlo

jona...@hotmail.com jonas.baa at hotmail.com
Mon May 5 09:03:21 UTC 2025


Hi! 

I was wondering if anyone have experience with Path Integral Monte Carlo, 
Variational Monte Carlo or Diffusion Monte Carlo in CP2K? 

>From the PINT module it seems that the Gibbs ensemble Monte Carlo is 
supported, but more information can not be found. 

Will be happy for all help I can get! 

Best regards,
Jonas Båtnes

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