EChem++

The EChem++ project provides a problem solving environment for molecular electrochemistry. It is intended to integrate data production, experiment simulation and data analysis. In the present version, the focus is on modeling and simulation of electrochemical reactions. Numerical resolution is based on adaptive finite element methods (FEM).
EChem++ includes an "electrochemical compiler" which allows the formulation of the electrode processes including diffusional transport, electron transfer, compled chemical reactions and adsorption in a classical chemical notation. The development of EChem++ relies on object-oriented programming and is an open source software attempt with the C++ programming language.

Current work includes the integration of true equilibrium conditions into the FEM code and an adoption of the graphical user interface to Qt4.

direct access to EChem++