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##### Questions and Answers / Re: Dynamicalmatrix huge matrix size

« Last post by**korand**on

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**Today**at 11:02Btw, there are forcefields for Bi2Te3, such as

Qiu, B.; Ruan, X. L. Molecular dynamics simulations of lattice thermal conductivity of bismuth telluride using two-body interatomic potentials Phys. Rev. B 2009, 80, 165203

Huang, B. L.; Kaviany, M. Ab initio and molecular dynamics predictions for electron and phonon transport in bismuth telluride Phys. Rev. B 2008, 77, 125209

But I could not find one for Bi2Se3... Maybe a case for our new machine-learned Moment Tensor Potentials...!

Dear Dr Blom

Bi2Se3 and Bi2Te3 have completely opposite feature in the terms of electrical behavior as far as I know.

That's true, I found that yours new machine-learned potentials would be useful in this case. However, I do not have access to this version. I will ask my question about this issue in the webinar at Jun 22 from lecturers.

Thanks in advance

Korand