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Simulations of Li-ion battery anodes based on graphite and silicon active materials (ERC-funded ARTISTIC project)

ABG-94112 Stage master 2 / Ingénieur 6 mois A stipend will be provided
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Laboratoire de Réactivité et Chimie des Solides
Amiens Les Hauts de France France
  • Physique
  • Chimie
  • Energie
lithium ion batteries, fabrication process, coarse grained molecular dynamics

Établissement recruteur

This MSc. internship will take place in the research team lead by Prof. Alejandro A. Franco, within the Laboratoire de Réactivité et Chimie des Solides (LRCS), in Amiens, France. LRCS is a joint research unit of CNRS and Université de Picardie Jules Verne (UMR CNRS 7314). 

LRCS iinvolves 100 people staff from about twenty different nationalities, performing internationally-recognized research on advanced electrochemical energy storage technologies. Research activities include batteries, their manufacturing, their characterization and their multiscale modeling.

LRCS is taking part of the European level through the Alistore-ERI network over 8 countries (19 laboratories) and at the national level through the RS2E network which gathers 17 laboratories, 15 industrial partners and 3 public institutions engaging in rechargeable batteries and supercacitors research. LRCS also seeks to facilitate technology transfer to the industry through RS2E’s pre-transfer equipment (18650 batteries prototyping, safety, upscaling). We are also working closely with industrials (Renault, EDF, Solvay, Safran, Umicore…) to give our findings a chance to reach the market and hopefully… your daily life!


Scientific Project: The general goal of the ERC-funded ARTISTIC project, lead by Prof. Alejandro A. Franco, is the development of a multiscale modelling platform that rationalizes the formulation and fabrication process of Li-ion battery (LIB) composite electrodes (made of active material particles, carbon additive particles and binder) and the effect of manufacturing processes in electrodes architecture and electrochemical performance. 

This MSc. internship will be devoted to explore different electrode chemistries such as silicon- and graphite-based anodes. The goal will be developing computational procedures aiming at simulating them. Such procedures will encompass several methods such as Coarse-Grained Molecular Dynamics and Discrete Element Method.  

In practice the MSc. student will contribute in the design and development of physics-based models for silicon-based and graphite-based anodes. She/he will be also in charge on running the simulations and analyzing the results in strong link with the internally ongoing experimental characterizations. We expect this internship project will provide interesting guidelines for the improvements of the anode architectures.   

This internship provides an unique opportunity to learn about advanced computational tools and battery manufacturing, two essential aspects in  the emerging Industry 4.0 concept encompassing real manufacturing and digital twins.

Techniques used: Computational software such as LAMMPS, LIGGGHTS and Comsol Multiphysics. 

Recent publications related to the topic: 


1. Website of the ERC-funded ARTISTIC Project.

2. A. Ngandjong, T. Lombardo, E. Primo, M. Chouchane, A. Shodiev,O. Arcelus, A. A. Franco, ChemRxiv 2020. Preprint. 

3. A. C. Ngandjong, A. Rucci, M. Maiza, G. Shukla, J. Vazquez-Arenas, A. A. Franco; The Journal of Physical Chemistry Letters 2017 8 (23) 5966-5972. 


Candidates should be MSc. students (M2) or last-year engineer students, with strong background in materials science or physical-chemistry and knowledge of computational chemistry, strongly motivated, open-minded and dynamic. Knowledge in programming is strongly advised. 

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