Missions

- Design a data catalog for molecular dynamics simulations.
- Implement tools for managing and accessing the data in this catalog.
- Contribute to the enrichment and standardization of the catalog's metadata.
- Ensure the integration of this catalog into the ecosystem of the European project LUMEN, which aims to explore and discover research outputs.

Activités

- Collect, centralize, and standardize metadata associated with molecular dynamics simulations from generic data repositories (Zenodo, Figshare), specialized databases (NOMAD, ATLAS, GPRCRmd…), and scientific literature.
- Design a data catalog that can be queried via a web interface and API.
- Ensure the interoperability of this data catalog with the research product exploration platform developed as part of the European LUMEN project.
- Enhance metadata using data mining and artificial intelligence techniques (classification, Named Entity Recognition).

Compétences

Technical skills:
- Knowledge of methods, software, and protocols in molecular dynamics.
- Experience in data and text processing (machine learning, NLP) and associated Python libraries (scikit-learn, NLTK, spaCy).
- Proficiency in software development in Python (best practices, version control, documentation, testing).
- Experience with relational databases (SQLite).
- Knowledge of APIs and web scraping.
- Use of semantic artifacts (ontologies, taxonomies).
- Knowledge of semantic web standards.
Interpersonal skills and Communication:
- Good communication skills for interdisciplinary collaboration.
- Ability to simplify complex concepts.
- Team spirit, adaptability.
- Proficiency in English.
Behavioral skills:
- Scientific curiosity, interest in new technologies.
- Rigor, organizational skills, autonomy.
- Ability to manage multiple priorities.

Contexte de travail

This job offer is part of the LUMEN project, funded by the European Union, which aims to transform the way research is produced, shared, and used. The scientific field concerned here is molecular dynamics, in connection with other disciplines (mathematics, social sciences and humanities, Earth system sciences). The work will be carried out within an international consortium, with numerous interactions with researchers and data specialists in a multidisciplinary framework.

Contraintes et risques

- Need to master advanced technical tools, particularly in automation and metadata management.
- Ability to adapt to heterogeneous data, evolving standards, and integration constraints within a broad ecosystem.
- Responsibility for the quality and consistency of data exposed to the scientific community.