I designed an alloy which has no experimental counterpart. I am trying to study the efficiency of the different microstructures of this alloy as catalyst. For this I want to check the stability of those microstructures. But it is impossible to do MD simulation or DFT calculation to check their stability. Because it will take huge time & huge computational cost also. So please let me know if any suitable software or method is available which can solve my problem. Thanks in advance for any kind of help.

More Diptendu Roy's questions See All
Similar questions and discussions