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CEA

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PhD Opportunity in Multiscale Modeling, Molecular Dynamics, and Agentic AI CEA in France

Degree Level

PhD

Field of study

Computer Science

Funding

Available

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Country

France

University

CEA

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Keywords

Computer Science
Mechanical Engineering
Materials Science
Mathematics
Molecular Dynamics
Fluid Mechanics
Computational Science
Computational Physics
Multiscale Modeling
High Performance Computing
Physics

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About this position

PhD Opportunity at CEA, France (Paris-Saclay region)

This post advertises a PhD position in multiscale modeling, molecular dynamics, hydrodynamics, and agentic AI at CEA, in collaboration between Maison de la Simulation and CEA DAM. The research topic is “Multiscale Modeling of Interface Instabilities under Dynamic Loading: From Atoms to Continuum in the Era of Agentic AI.”

The project focuses on Richtmyer–Meshkov and Rayleigh–Taylor instabilities in materials under extreme dynamic loading. The PhD candidate will develop LLM-based AI agents using Model Context Protocol (MCP) to automate and orchestrate scientific simulations, run large-scale molecular dynamics simulations with the exaStamp HPC code, and compare atomistic and continuum-scale results with hydrodynamic simulations. The work also explores how AI for Science can accelerate discovery while maintaining physical consistency, reproducibility, and human supervision.

Eligibility / profile: motivated candidates with interests in computational physics, numerical simulations, HPC, and AI are encouraged to contact the team.

Supervision: Jean-Bernard Maillet, Paul Lafourcade, Benoit Martin, and Pascal Tremblin.

Location: CEA, France – Paris-Saclay region.

Contact: [email protected]

Funding details

Available

What's required

Motivated candidate interested in computational physics, numerical simulations, high-performance computing, and AI for Science. The project is suited to applicants with an interest in molecular dynamics, hydrodynamics, multiscale modeling, and reproducible scientific computing.

How to apply

Contact Pascal Tremblin by email for more information and to express interest. Share the opportunity with potential candidates if relevant.

More information can be found here

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