Models and methods for the study of molecular and nanosystems assemblies for energy conversion and storage
The urgency of reducing the use of fossil fuels is stimulating the development of new materials for energy production and conversion. Although some progress has been made in this regard, energy production from renewable sources is still economically unfavorable.
Numerical simulation is a powerful tool for the preliminary evaluation and the analysis of complex processes. Among the available numerical procedures, Finite Element Method (FEM) efficiently allows to perform multiphysics simulation, leading to the numerical solution of coupled Partial Differential Equations (PDE).