Senior AI-Driven Materials & Process Design Leader

Technology Innovation Institute; Abu Dhabi Emirate; On-site; AED 250,000 - 450,000; Full time

Job summary

Technology Innovation Institute seeks a Senior Researcher to lead AI-enabled computational materials and process design for renewable energy tech. You will connect composition, structure, processing, and performance across atomistic to device scales.

The role combines physics-based simulation, data science, and AI to accelerate discovery of functional materials while collaborating with synthesis, characterization, and device teams.

Qualifications

• PhD in materials science, physics, chemistry or related field.
• 5+ years R&D in computational materials science or materials informatics.
• Experience translating research into practical decisions and deployment.
• Proven ability to build automated, reproducible computational workflows.
• Strong expertise in physics-based methods (DFT, MD, CALPHAD, etc.).
• Experience with AI for Materials including ML for prediction and optimization.
• Proficiency in Python and scientific software toolkits.

Responsibilities

• Lead computational materials and process design programs from problem definition through validation.
• Develop AI for Materials strategies combining physics models, data, and ML.
• Design and screen optoelectronic materials and metal alloys with performance targets.
• Apply multiscale modelling to predict composition-structure-property relationships.
• Create automated workflows for high-throughput calculation and design-space exploration.
• Collaborate with synthesis, characterization, and device teams to validate models.

Skills

Physics-based modelling

DFT

Machine learning

Python

MATLAB

Multiscale modelling

Opotoelectronic materials

Optoelectronic device physics

Materials informatics

Data analysis

Education

PhD in Materials Science

Physics or Chemistry or Chemical Engineering

R&D experience in academia or industry

Tools

Python

MATLAB

VASP

Quantum ESPRESSO

Gaussian

LAMMPS

Thermo-Calc

COMSOL

Lumerical

SCAPS

Job description

Technology Innovation Institute seeks a Senior Researcher to lead AI-enabled computational materials and process design for renewable energy tech. You will connect composition, structure, processing, and performance across atomistic to device scales.

The role combines physics-based simulation, data science, and AI to accelerate discovery of functional materials while collaborating with synthesis, characterization, and device teams.