What is the best simulation platform for Topological Insulator-based devices?

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Sumaiyatul Ahsan

I'm not sure if these are the best platforms, however extensive research on HOTI among other TIs are often done using ab initio or AIMD. Many Topological insulators are exotic in nature hence simulating them using MD is very difficult as finding the right potential file can be harder.

Cheng Shu Jie

I think there is no absolute best one. Vasp, ATK, Nanodcal are good softwares for simulations.