I am new in the computational research line. So, I just want to start measuring the thermal conductivity and electrical conductivity of some doped materials. I need to know which software do I have to use or learn to calculate this topic?
I don't agree with Hadi Jabbar Alagealy and Jiaqi He's answers. Because, I think, Comsol Multiphysics isn't suitable to simulate material specific properties. It is impossible. Comsol Multiphysics is for only modeling devices in architecture and engineering field. To calculate the material properties you should use from software refer to material science such as VASP, Material Studio, Quantum Espresso, Lammps so on.