I am separately learning about materials modelling using Quantum ESPRESSO (QE), and the theory of plasma-material interactions (PMI). This made me wonder: Is there any way to model PMI using QE even if it's a crude model?

  • $\begingroup$ +1. My understanding is that Quantum ESPRESSO is not designed to simulate "plasma". Can you make this question more focused by specifying a particular PMI? Sometimes interactions can be modeled in electronic structure software as an external Hamiltonian interacting with the Hamiltonian of primary interest. Perhaps you can be more specific. $\endgroup$ Jun 28 at 0:03
  • $\begingroup$ The question has been closed pending clarification by the OP. It can be reopened if someone would like to provide an answer or OP addresses questions in the comments. $\endgroup$
    – Tyberius
    Jul 12 at 14:46