Multiscale Modeling of Electrochemical Energy Conversion and Storage
Multiscale Modeling of Electrochemical Energy Conversion and Storage

Multiscale modeling

The ingredients calculated at the lower scales, are injected into the multiscale simulation package MS LIBER-T for the calculation of electrochemical observables.  The influence of the chemical and structural properties of the materials onto the overall cell response can then be captured. 


Simualted electrochemical signals include: polarisation curves (fuel cells and electrolyzers), potential evolution over time (in relation with fuel cells and electrolyzers materials degradation), discharge-charge curves (batteries), cyclic voltametry, electrochemical impedance spectroscopy. Upon the simulations, the evolution of the state variables can be followed (e.g. local concentration, local potential, local intermediates reaction coverage) as well as the materials structure evolution (in the case when the materials degradation is modelled).

MS LIBER-T is available for the smulation of the following electrochemical devices for energy conversion and storage:


Energy storage: 

  •  Lithium Air Batteries
  •  Lithium Ion Batteries
  •  Supercapacitors


Energy conversion:

  • PEM Fuel Cells
  • PEM Electrolyzers


Alejandro A. Franco,

Full Professor & 

Junior Member of the 

Institut Universitaire de France



Phone number:

+33 3 22 82 53 36


Institut Universitaire de France




Laboratoire de Réactivité et Chimie des Solides (LRCS)

Université de Picardie Jules Verne - CNRS / UMR 7314

33, rue St. Leu

Amiens, France





Réseau sur le Stockage Electrochimique de l'Energie (RS2E)

FR CNRS 3459





ALISTORE-ERI, European Research Institute

FR CNRS 3104



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© Prof. Dr. Alejandro A. Franco