Status of Core-Shell model

Hi Steve and Axel,

I was just wondering about the current status of the Core-Shell model for LAMMPS? Is it far enough along so that my attempt to develop it
on my own is not needed?

Thanks for your time,

There has been lots of talk about this, but nobody has yet stepped up
and done the work. I don't think there is even a prototype. If you
want to take a crack at it, steal the glory, and presumably get it to
do what you need, I think you should go for it. I am copying Paul on
this, as he may know about some recent developments that will
contradict what I just said.


You should also talk to Mike Chandross (CCd) to
see if he has done any recent work on this.


I have not.

I've been completely unsuccessful at generating funding for this, unfortunately, so very little progress has been made.


To all,

Thank you for the circulating this inquiry. Since this style of potential is frequently used to describe ionic ceramics ( my area of research), I think I’m going to see what I can do to get this underway. I suspect that I’ll make little progress but its worth a shot.

Thanks again,

I’m likewise unaware of development efforts on a Core-Shell model for LAMMPS. I’ll defer to the comments already sent by Aidan, Steve, and Mike Chandross.