[adf-list]为水滑石创建REAFF强制字段

Phebe l Bonilla Prado PlbonizzraDo1在谢菲尔德
星期三4月25日21:00:10 Cest 2018

Hello everyone,

I am working with an anionic clay, hydrotalcite, which is very similar to
brucite. I am trying to use the cif file of the later and modify it to
create the structure of the material I want. However, there are no Force
Fields developed for a similar material. I have tried to follow this
workshop (
//www.tofoba.com/wp-content/uploads/NSCCS-ReaxFF-Workshop-2016-MCFF.pdf)
but I feel a bit lost.

Does anyone know other tutorials for generating a Force Field?

Thank you very much,

-- 

Phebe Linette Bonilla Prado

*"The future belongs to those who believe in their dreams" - ER*



PhD Student

The University of Sheffield

Grantham Centre for Sustainable Future

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