Hybrid Materials AI Scientist (Chemistry/Materials)

IBM; Bois-Colombes; Hybrid; EUR 90,000 - 120,000; Full time

Job summary

IBM Consulting seeks a Data Scientist with a PhD in materials science or related field to model materials, analyze datasets from experiments and simulations, and apply AI to accelerate discovery at enterprise scale. You will collaborate with IBM Research, academia, and industry R&D teams to deploy AI workflows.

You will work in a delivery center, translating deep scientific knowledge into deployable AI solutions and contributing to knowledge‑driven platforms for scientific intelligence.

Qualifications

• PhD required in materials science, chemistry, chemical engineering, or closely related field.
• Strong theory of materials or chemical systems, including structure–function relationships, thermodynamics, kinetics, or molecular interactions.
• Proficiency in Python and scientific libraries (NumPy, SciPy, Pandas, scikit-learn).
• Experience applying ML to scientific problems (materials property prediction, spectroscopy analysis, molecular modeling).
• Familiarity with cheminformatics or materials informatics libraries (RDKit, pymatgen, ASE, Matminer).
• Experience with simulation tools such as MD, DFT, Monte Carlo, or finite element modeling.

Responsibilities

• Develop ML and generative AI models for materials and chemical applications, including structure–property prediction and molecular generation.
• Design, curate, and analyze complex datasets from experiments, simulations, spectroscopy, or materials characterization.
• Integrate ML workflows with scientific computing tools like MD, DFT, phase–field modeling, or multi‑scale frameworks.
• Collaborate with IBM Research on science foundation models and domain‑specific AI methods.
• Extract scientific knowledge from literature, patents, and experiments using knowledge graphs and document‑understanding technologies.
• Validate AI‑generated hypotheses with subject‑matter experts and guide experiment planning and design space exploration.
• Work with industry R&D clients to identify challenges, design AI‑enabled solutions, and communicate results.
• Contribute to Science Next platform components with data products, virtual models, and scientific workflows.

Skills

Python

NumPy

SciPy

Pandas

scikit-learn

MLOps

Education

PhD in Materials Science, Chemistry, Chemical Engineering, Physical Chemistry, Polymer Science, Nanoscience

Tools

RDKit

pymatgen

ASE

Matminer

MD

DFT

Job description

IBM Consulting seeks a Data Scientist with a PhD in materials science or related field to model materials, analyze datasets from experiments and simulations, and apply AI to accelerate discovery at enterprise scale. You will collaborate with IBM Research, academia, and industry R&D teams to deploy AI workflows.

You will work in a delivery center, translating deep scientific knowledge into deployable AI solutions and contributing to knowledge‑driven platforms for scientific intelligence.