Stage Bac5 Simulation Multi-Échelle H/F

Missions : Graphite is the reference negative-electrode material in Li-ion batteries, but its lithiation involves complex phase transitions and staging. Quantitative phase-field models require the underlying free-energy density as an input. This internship aims to compute that free-energy landscape from first principles and transfer it to continuum electrode models, with the longer-term objective of improving the prediction of fast-charging behaviour. Your project will be to build or adapt a ma…