PhD: Agentic AI for Autonomous Energy Materials

IREC - Institut de Recerca en Energia de Catalunya; Barcelona; On-site; EUR 18,000 - 24,000; Full time

Job summary

IREC – Institut de Recerca en Energia de Catalunya in Barcelona invites applications for a PhD Position in Agentic AI for Autonomous Materials Discovery in Next-Generation Energy Devices. The role involves developing AI/ML methods to autonomously explore and optimize materials for advanced energy devices, building workflows and validating discoveries with experimental data.

Contributors will publish in peer-reviewed journals, present at conferences, and support open, reproducible research tools.

Qualifications

• Strong background in AI/ML with agent-based systems experience.
• Knowledge of computational materials science, chemistry, physics, or related fields.
• Proficiency in Python or Julia and data analysis.
• Master’s degree qualifying for PhD enrollment.
• Fluency in English; Catalan or Spanish knowledge is a plus.

Responsibilities

• Build computational workflows for AI-driven discovery.
• Integrate experimental and simulation data.
• Collaborate with materials scientists and engineers.
• Publish in peer-reviewed journals and present at conferences.
• Contribute to project reports and proposals.

Skills

AI/ML

Agent-based systems

Data analysis

Workflow automation

Education

Master’s degree (or equivalent) in engineering/physics/chemistry/computer science

Tools

Python

Julia

Job description

IREC – Institut de Recerca en Energia de Catalunya in Barcelona invites applications for a PhD Position in Agentic AI for Autonomous Materials Discovery in Next-Generation Energy Devices. The role involves developing AI/ML methods to autonomously explore and optimize materials for advanced energy devices, building workflows and validating discoveries with experimental data.

Contributors will publish in peer-reviewed journals, present at conferences, and support open, reproducible research tools.