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Research Software Engineer – HPC & Simulation Platforms

ILL -
Grenoble (38)

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Détails de l'emploi

Temps plein
Il y a 8 jours

Qualifications

Informatique
Ab Initio
Bash
Docker
Python
Shell scripting

Description complète du poste

Context

The Institut Laue-Langevin (ILL), situated in Grenoble, France, is Europe's leading research facility for scientific research using neutrons. Every year, we host over 2000 visits by scientists, who come to the Institute to carry out world-class research.
The Scientific Computing group (CS) at the ILL develops and maintains software tools for data reduction, analysis, and atomistic simulations. These activities are consolidated within a numerical platform, integrating Classical Molecular Dynamics and first-principles packages (Ab-initio, DFT) on a high-performance computing (HPC) cluster.
As part of the ILL's Science Strategy, the CS group is leading the development of a new numerical platform IPAD (Integrated Platform for Analysing Data), a unified environment designed to streamline atomistic simulations for ILL users and scientists. IPAD will provide template workflows for routine simulations, handling technical complexities (input/output management, job submission, HPC monitoring). Simulations will further integrate into digital twins of ILL instruments, enabling high-quality dataset generation and opening the door to AI-assisted neutron data analysis.
The CS group currently comprises eight scientists: four full-time developers and four researchers in direct contact with the Instrument Responsible. In response to growing demand for specialised numerical tools, the CS group is now expanding its team.

Your tasks
As a member of the CS group, you will:

Support the development of the IPAD platform, bringing a good understanding of scientists' needs and the various aspects of atomistic simulations
Contribute to the development of the Hylleraas Software Platform and its local deployment on ILL's IT architecture, ensuring its integration with the digital twin project (SCI – Instrument Control) and coordinating interactions between the IT and SCI groups
Engage with scientists to assess their needs for AI-assisted on-the-fly data analysis

Your profile

Background in computer science, software engineering, or a related IT field
Experience with HPC cluster administration and job scheduling systems (e.g. SLURM, PBS)
Familiarity with simulation workflows and scientific computing environments
Strong programming skills, particularly in Python and/or scripting languages (Bash, etc.)
Experience with software deployment and system integration (APIs, CI/CD, containerization such as Docker/Singularity)
Knowledge of atomistic simulation packages (Classical MD, DFT) would be an advantage
Interest in working at the interface between IT infrastructure and scientific research
Experience in a research or academic environment would be welcome.

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Je souhaite recevoir la dernière alerte Emploi pour les postes de ce type : research engineer (grenoble, ara)

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