[CP2K-user] How can I use ReaxFF within CP2K or similar?

[刘小凤]

Dear anyone
So we can't using any Reactive Force Field in CP2K by now ?    Will ReaxFF 
is  implemented in CP2K in future?

在2020年7月30日星期四 UTC+8 上午12:50:24<mdsi... at gmail.com> 写道：

> You might want to look into using LAMMPS.
>
>
> On Friday, July 17, 2020 at 9:27:58 AM UTC-4, Dev Rana wrote:
>>
>> Hello,
>>
>> I'm trying to recreate this simulation (so I can expand upon it). 
>> https://pubs.acs.org/doi/abs/10.1021/jp212149c (Molecular Dynamics 
>> Simulation of Chemical Vapor Deposition Graphene Growth on Ni (111) 
>> Surface). The paper investigates graphene formation using ReaxFF in MD on 
>> solid Ni surface. Specific model and MD input is easy to recreate, however 
>> how can I equivalently simulate the ReaxFF? My ultimate goal would be to 
>> expand on this research and look at graphene growth further.
>>
>> Any advice would be incredibly appreciated! 
>>
>> Thank you!
>>
>> Best Regards,
>> Devyesh Rana
>>
>
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