[CP2K-user] [CP2K:19981] Re: Inquiry Regarding Force_Matching

[JayLIN]

I found that Professor Roethlisberger and her team have implemented the 
force matching protocol in CPMD, referencing the paper by Maurer, P.; 
Hugosson, H. W.; Colombo, M. C.; Rothlisberger, U. (J. Chem. Theory Comput. 
2007, 3, 628-639). However, I am uncertain whether the force field matching 
procedure in CP2K is also derived from the same paper.
On Saturday 2 March 2024 at 13:52:31 UTC+13 JayLIN wrote:

> Dear all,
>
> I am currently in the process of learning how to effectively utilize Force 
> Matching in CP2K. Despite my efforts, I have been unable to locate a 
> comprehensive resource, such as a paper or book, that elucidates this 
> procedure or model about how to construct the force field. I would greatly 
> appreciate it if someone could provide guidance or suggest relevant 
> materials.
>
> Thank you for your assistance.
>
> Regards,
> JL 
>

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