Postdoc – Modelling and Simulation of Atomic, Nanostructure, Phase Transition and Surface Characteristics of Graphitic Biomass-Derived Biocarbon (Biochar) Produced at High Temperature IMT Mines Albi in France

This postdoctoral position at IMT Mines Albi, France, offers a unique opportunity to contribute to cutting-edge research in the modelling and simulation of atomic, nanostructure, phase transition, and surface characteristics of graphitic biomass-derived biocarbon (biochar) produced at high temperature. The research is embedded within the RAPSODEE Center, a CNRS joint research unit dedicated to process engineering, materials, and sustainable energies. The project is funded by an ERC Advanced Grant under the EU Horizon Europe programme, ensuring robust support and resources for the successful candidate.

The main objective of the project is to elucidate the fundamental mechanisms governing the thermal transformation of biocarbon into graphitic carbon. The research will focus on atomic- and nanoscale understanding of thermodynamic and kinetic phenomena during the formation of biomass-derived carbon materials. Key topics include phase nucleation and growth, dissolution, diffusion and precipitation of species, phase separation, evolution of carbon structural ordering during heat treatment, and mechanical properties such as phase stability, interstitial diffusion of atoms, surface energy, and conductivity.

The candidate will employ and develop advanced simulation techniques, including Density Functional Theory (DFT) calculations, Molecular Dynamics (MD) with reactive force fields (e.g., ReaxFF), and Monte Carlo methods (kinetic Monte Carlo, thermodynamic sampling). Experience with machine learning in materials science, such as machine learning interatomic potentials and data-driven modelling of materials properties, as well as familiarity with multiscale modelling approaches, is highly valued.

Applicants must have obtained a PhD less than 3 years ago in chemical engineering, materials science, physics, physical chemistry, or a related field. Essential skills include a strong background in computational materials science, experience with at least two of the following: DFT calculations, molecular dynamics simulations, or modelling; knowledge of phase transformations, diffusion, or nucleation and growth processes; and good programming skills (Python, C/C++, or similar). Candidates should demonstrate scientific rigor, analytical and synthesis skills, autonomy, initiative, and strong written and oral communication skills in English.

The position is full-time, fixed-term for 18 months, and offers a pleasant working environment on a 22-hectare campus, 49 days of leave, on-site staff catering, support for sustainable commuting, and social benefits including supplementary social protection and family assistance. The research will be conducted in an international environment, with regular visits to partner laboratories in France, the USA, and India.

To apply, candidates should submit their application via the online portal, including a CV, cover letter, 1 or 2 letters of recommendation, and a copy of their PhD diploma. Accommodations are available upon request for applicants with disabilities. For questions regarding the position content, contact Auriane Agard ([email protected]); for administrative matters, contact Laura Olivier ([email protected]).

Application deadline is May 29, 2026. For further information, visit the institution's website or the application portal.