I am thinking about working on computational electrochemistry for a limited subject and don't have a huge amount of time I can invest to explore different software. The JDFTx software seems like a perfect fit for me. My concern is that I don't see it mentioned much in the literature (or even on MSME!).
I am seeking software recommendations for computational electrochemistry (whether for JDFTx or a different software), in the format of the answer in similar questions before, such as:
- Package for computing properties of excited vibrational states
- What packages exist for building quantum Monte Carlo simulations of spin or Hubbard Hamiltonians?
- What software should I use for an MD study of a temperature-dependent crystallographic phase transition?
- Is there a free package with robust CASSCF functionality?