Le CEA est un acteur majeur de la recherche, au service des citoyens, de l'économie et de l'Etat.
Il apporte des solutions concrètes à leurs besoins dans quatre domaines principaux : transition énergétique, transition numérique, technologies pour la médecine du futur, défense et sécurité sur un socle de recherche fondamentale. Le CEA s'engage depuis plus de 75 ans au service de la souveraineté scientifique, technologique et industrielle de la France et de l'Europe pour un présent et un avenir mieux maîtrisés et plus sûrs.
Implanté au cœur des territoires équipés de très grandes infrastructures de recherche, le CEA dispose d'un large éventail de partenaires académiques et industriels en France, en Europe et à l'international.
Les 20 000 collaboratrices et collaborateurs du CEA partagent trois valeurs fondamentales :
2026-41790
Basé principalement à Grenoble et Chambéry, le Laboratoire d'Innovation pour les Technologies des Energies nouvelles et les Nanomatériaux (Liten) est un acteur majeur de la recherche européenne entièrement dédié aux nouvelles technologies de l'énergie.
Unité du LITEN, le Département de l'électricité et de l'hydrogène pour les transports a pour mission :
Le stage se déroulera dans le Laboratoire Modélisation Multi-Physiques et Simulation
Matériaux, physique du solide
Stage
Stage BAC+5 Simulation multi-échelle H/F
Ab initio free-energy landscape of lithiated graphite
6
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 machine-learning interatomic potential for lithiated graphite using density-functional-theory (DFT) reference calculations; sample lithiation and phase transitions using Grand-Canonical Monte Carlo coupled to molecular dynamics, including biased sampling when needed; reconstruct quantitative free-energy profiles for one or several staging transitions; and connect the atomistic results to phase-field modelling and compare with electrochemical and advanced-characterisation data. CV and cover letter to be sent to: ambroise.vanroekeghem@cea.fr
Diplôme préparé : Bac+5 – Diplôme Ecole d’ingénieurs
Compétences scientifiques : atomistic simulations, statistical physics, Density Functional Theory, Molecular Dynamics, Monte Carlo, machine learning, phase field simulations
Grenoble
France, Auvergne-Rhône-Alpes, Isère (38)
Grenoble
Bac+5 - Diplôme École d'ingénieurs
01/02/2027
The CEA is the French Alternative Energies and Atomic Energy Commission ("Commissariat à l'énergie atomique et aux énergies alternatives"). It is a public body established in October 1945 by General de Gaulle. A leader in research, development and innovation, the CEA mission statement has two main objectives: To become the leading technological research organization in Europe and to ensure that the nuclear deterrent remains effective in the future.
The CEA is active in four main areas: low-carbon energies, defense and security, information technologies and health technologies. In each of these fields, the CEA maintains a cross-disciplinary culture of engineers and researchers, building on the synergies between fundamental and technological research.
The civilian programs of the CEA received 49% of their funding from the French government, and 30% from external sources (partner companies and the European Union).
The CEA had a budget of 4,3 billion euros.
The CEA is based in ten research centers in France, each specializing in specific fields. The laboratories are located in the Paris region, the Rhône-Alpes, the Rhône valley, the Provence-Alpes-Côte d'Azur region, Aquitaine, Central France and Burgundy. The CEA benefits from the strong regional identities of these laboratories and the partnerships forged with other research centers, local authorities and universities.
