Missions

In collaboration with the laboratory's modellers, mainly from the SINanO, MEM and GNS groups, the engineer recruited will be responsible for supporting scientific computing activities, primarily atomistic simulations, but also the porting and interfacing of computing codes, the development of codes based on DFT and tight-binding or on machine learning (for modeling and experimental activities) and the management of massive data.

Activités

Main activities:
- Provide expertise in the use of mathematical methods and algorithmic techniques for modeling, calculation and simulation in physics, chemistry and materials science, particularly at the atomic and molecular levels.
- Advise on the choice of software, methods and architecture of targeted computing machines according to the problem posed.
- Develop, parallelize and/or interface scientific computing codes. Ensure their documentation and software quality.
- Manage the lifecycle of computational data, organize it and monitor its use.
- Supervise trainees and participate in the mentoring of young colleagues in doctoral or post-doctoral studies.

Secondary activities:
- Passing on knowledge and skills in scientific computing, through presentations and training courses.
- Install scientific computing tools and software on high-performance computing machines in national and regional centers.
- Participate in national and international research projects and associated publications.
- Monitor technological developments in algorithms and architectures.

Compétences

Skills:
- Knowledge of solid state physics, materials science and/or chemistry and applied mathematics (numerical analysis, statistics).
- Knowledge of scientific computing tools (atomistic simulation codes, electronic structure calculation and machine learning methods).
- Mastery of modern programming languages (Fortran, C/C++, Python, etc.), high-performance computing and parallel computing.
- Expertise in the development, optimization and use of scientific computing code.
- Fluency in written and spoken English B2 to C2.

Know-how:
- Provide answers to specific needs.
- Programming in different computing environments.
- Ability to conceptualize and reason analytically.

Contexte de travail

CEMES is a laboratory specializing in solid state physics, nanoscience, molecular chemistry and materials science. It has a staff of 140, divided into 7 research groups and 4 technical platforms. Its activities cover a wide spectrum, from the synthesis of (nano)materials and molecular systems to the experimental study and modeling of their structures and physical properties (optical, mechanical, electronic and magnetic), and their integration into devices. These themes include modeling and theoretical studies carried out at various scales on a variety of objects. Machine learning-based methods, promising for modeling complex materials and their evolution at multiple scales, are increasingly used to accelerate molecular dynamics simulations and data analysis. New algorithms and computational methods are also being developed to optimize existing simulations. For example, ab initio calculation codes based on DFT need to be extended to incorporate complex effects such as non-collinear magnetism, spin-orbit coupling and the presence of defects at interfaces, which are crucial for calculating the properties of electronic and spintronic devices. In some cases, optimizing computational performance may require porting to GPU architectures and/or interfacing different codes. Finally, the data generated by the simulations can be voluminous and require organization in line with FAIR principles.
The person recruited will work with the laboratory's modellers and will interact with the scientific computing staff on site. The position is located in an area covered by the Protection of Scientific and Technical Potential (PPST) and therefore requires, in accordance with regulations, that your arrival be authorized by the competent MESR authority.

Le poste se situe dans un secteur relevant de la protection du potentiel scientifique et technique (PPST), et nécessite donc, conformément à la réglementation, que votre arrivée soit autorisée par l'autorité compétente du MESR.