Codes

Modified Gaussian Renormalized Fluctuation Theory for Electrolytes

This is a Python package for solving the modified Gaussian renormalized fluctuation theory for different electrical double layer systems. The code is based on the equations derived in the work of Agrawal and Wang, Phys. Rev. Lett. 2022, 129, 228001 and J. Chem. Theory Comput. 2022, 18, 6271–6280 and is written on top of open-source spectral methods based differential equation solver Dedalus, developed by Burns et al., Phys. Rev. Res. 2020, 2 (2), 023068. The complete numerical scheme and the method to solve the correlation functions will be soon published as a separate research article.